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

Systemtic Name: 6-(3,4-dichlorophenyl)-4-hexoxy-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-4-hexoxy-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-4-hexoxy-6-(1H-isoindol-5-ylamino)-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-4-hexoxy-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-4-hexoxy-6-(1H-isoindol-5-ylamino)cyclohexa-1,3-diene-1-carboxylic acid Formula: C27H28Cl2N2O3 MolecularWeight: 499.42882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C(C1)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3)C(=O)O

InChI

InChI=1S/C27H28Cl2N2O3/c1-2-3-4-5-12-34-22-9-10-23(26(32)33)27(15-22,20-7-11-24(28)25(29)14-20)31-21-8-6-18-16-30-17-19(18)13-21/h6-11,13-14,17,31H,2-5,12,15-16H2,1H3,(H,32,33)