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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C=CC=C1C(=O)O)NC2=CC3=C(CN=C3)C=C2)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1(C(C=CC=C1C(=O)O)NC2=CC3=C(CN=C3)C=C2)C4=CC(=C(C=C4)Cl)Cl

InChI

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