Compound Identification
SMILES
COC1=CC(N)=C(Cl)C=C1C(=O)OCCN1CCC(CNC(=O)CCCN(CC#CC2=CC(=CC=C2)C#CCN(CCCC(=O)NCC2CCN(CCOC(=O)C3=CC(Cl)=C(N)C=C3OC)CC2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1
InChIKey
InChIKey=KGGFTXYEERXSSW-UHFFFAOYSA-N
Formula
C62H84Cl2N8O12
Mass
1204.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
O-methoxybenzoic acids and derivatives
Alternative Parents
Benzoic acid esters 3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Aminophenyl ethers Methoxyanilines Benzoyl derivatives Anisoles Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Piperidines Aryl chlorides N-acyl amines Carbamate esters Secondary carboxylic acid amides Carboxylic acid esters Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-methoxybenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Aniline or substituted anilines - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - N-acyl-amine - Piperidine - Fatty amide - Aryl halide - Fatty acyl - Aryl chloride - Carbamic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available