6-(3,4-dichlorophenyl)-4-heptoxy-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-(3,4-dichlorophenyl)-4-heptoxy-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-4-heptoxy-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-4-heptoxy-6-(1H-isoindol-5-ylamino)-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-4-heptoxy-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-4-heptoxy-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid Formula: C28H30Cl2N2O3 MolecularWeight: 513.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

InChI

InChI=1S/C28H30Cl2N2O3/c1-2-3-4-5-6-13-35-23-10-11-24(27(33)34)28(16-23,21-8-12-25(29)26(30)15-21)32-22-9-7-19-17-31-18-20(19)14-22/h7-12,14-15,18,32H,2-6,13,16-17H2,1H3,(H,33,34)