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

Systemtic Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C22H18Cl2N2O2 MolecularWeight: 413.29652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(=C1)C(=O)O)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3

Isomeric SMILES

CC1=CCC(C(=C1)C(=O)O)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3

InChI

InChI=1S/C22H18Cl2N2O2/c1-13-6-7-22(18(8-13)21(27)28,16-3-5-19(23)20(24)10-16)26-17-4-2-14-11-25-12-15(14)9-17/h2-6,8-10,12,26H,7,11H2,1H3,(H,27,28)