2-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-isoindol-5-yl)amino]-4-heptoxy-benzoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-isoindol-5-yl)amino]-4-heptoxy-benzoic acid Openeye Name: 2-(3,4-dichloro-N-isoindolin-5-yl-anilino)-4-heptoxy-benzoic acid CAS Name: 2-[3,4-dichloro-N-(2,3-dihydro-1H-isoindol-5-yl)anilino]-4-heptoxybenzoic acid IUPAC Name: 2-[3,4-dichloro-N-(2,3-dihydro-1H-isoindol-5-yl)anilino]-4-heptoxybenzoic acid Traditional Name: 2-(3,4-dichloro-N-isoindolin-5-yl-anilino)-4-heptoxy-benzoic acid Formula: C28H30Cl2N2O3 MolecularWeight: 513.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)C(=O)O)N(C2=CC3=C(CNC3)C=C2)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)C(=O)O)N(C2=CC3=C(CNC3)C=C2)C4=CC(=C(C=C4)Cl)Cl

InChI

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