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

Systemtic Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methoxy-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methoxy-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methoxy-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methoxycyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-6-(1H-isoindol-5-ylamino)-3-methoxy-cyclohexa-1,3-diene-1-carboxylic acid Formula: C22H18Cl2N2O3 MolecularWeight: 429.29592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC(C(=C1)C(=O)O)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3

Isomeric SMILES

COC1=CCC(C(=C1)C(=O)O)(C2=CC(=C(C=C2)Cl)Cl)NC3=CC4=C(CN=C4)C=C3

InChI

InChI=1S/C22H18Cl2N2O3/c1-29-17-6-7-22(18(10-17)21(27)28,15-3-5-19(23)20(24)9-15)26-16-4-2-13-11-25-12-14(13)8-16/h2-6,8-10,12,26H,7,11H2,1H3,(H,27,28)