3-[(3-cyanophenyl)methyl]-2-[(3-cyclopentyloxy-4-methoxy-phenyl)amino]benzoic acid

Systemtic Name: 3-[(3-cyanophenyl)methyl]-2-[(3-cyclopentyloxy-4-methoxy-phenyl)amino]benzoic acid Openeye Name: 3-[(3-cyanophenyl)methyl]-2-[3-(cyclopentoxy)-4-methoxy-anilino]benzoic acid CAS Name: 3-[(3-cyanophenyl)methyl]-2-(3-cyclopentyloxy-4-methoxyanilino)benzoic acid IUPAC Name: 3-[(3-cyanophenyl)methyl]-2-(3-cyclopentyloxy-4-methoxyanilino)benzoic acid Traditional Name: 3-(3-cyanobenzyl)-2-[3-(cyclopentoxy)-4-methoxy-anilino]benzoic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=CC=C2CC3=CC=CC(=C3)C#N)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=CC=C2CC3=CC=CC(=C3)C#N)C(=O)O)OC4CCCC4

InChI

InChI=1S/C27H26N2O4/c1-32-24-13-12-21(16-25(24)33-22-9-2-3-10-22)29-26-20(8-5-11-23(26)27(30)31)15-18-6-4-7-19(14-18)17-28/h4-8,11-14,16,22,29H,2-3,9-10,15H2,1H3,(H,30,31)