Compound Identification
SMILES
CCCNC(=O)CN1CCN(CC1)C(NC1=CC=C(C=C1)C(O)=O)=NCCC1=CC=CC=C1
InChIKey
InChIKey=BRVPDJWKMABOKE-UHFFFAOYSA-N
Formula
C25H33N5O3
Mass
451.571
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Aminobenzoic acids and derivatives
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Level 6
Guanidinobenzoic acids and derivatives
- Level 7 Guanidinobenzoic acids
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Level 6
Guanidinobenzoic acids and derivatives
-
Level 5
Aminobenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Aminobenzoic acids and derivatives - Guanidinobenzoic acids and derivatives
Direct Parent
Guanidinobenzoic acids
Alternative Parents
Alpha amino acid amides N-piperazineacetamides Benzoic acids Benzoyl derivatives N-alkylpiperazines Trialkylamines Amino acids Secondary carboxylic acid amides Guanidines Carboximidamides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Guanidinobenzoic acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-piperazineacetamide - Benzoic acid - Benzoyl - N-alkylpiperazine - 1,4-diazinane - Piperazine - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as guanidinobenzoic acids. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid.
External Descriptors
Not available