Compound Identification
SMILES
OC(=O)C1=CC=C(C=C1)C(O)=O.CC1CC(CCC1N)C(C1CCC(N)C(C)C1)C1CCCCC(=O)N1
InChIKey
InChIKey=HRDHLJZGEVKBRP-UHFFFAOYSA-N
Formula
C29H45N3O5
Mass
515.695
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 P-phthalic acid and derivatives
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Level 5
Phthalic acid 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
Phthalic acid and derivatives
Direct Parent
P-phthalic acid and derivatives
Alternative Parents
Monocyclic monoterpenoids Aromatic monoterpenoids Benzoic acids Caprolactams Benzoyl derivatives Cyclohexylamines Azepanes Secondary carboxylic acid amides Amino acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Para_phthalic_acid - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzoic acid - Benzoyl - Caprolactam - Azepane - Cyclohexylamine - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Primary aliphatic amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
External Descriptors
Not available