3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(2-pyridin-3-ylethyl)amino]benzoic acid

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(2-pyridin-3-ylethyl)amino]benzoic acid Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-N-[2-(3-pyridyl)ethyl]anilino]benzoic acid CAS Name: 3-[3-cyclopentyloxy-4-methoxy-N-[2-(3-pyridinyl)ethyl]anilino]benzoic acid IUPAC Name: 3-[3-cyclopentyloxy-4-methoxy-N-(2-pyridin-3-ylethyl)anilino]benzoic acid Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-N-[2-(3-pyridyl)ethyl]anilino]benzoic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C26H28N2O4/c1-31-24-12-11-22(17-25(24)32-23-9-2-3-10-23)28(15-13-19-6-5-14-27-18-19)21-8-4-7-20(16-21)26(29)30/h4-8,11-12,14,16-18,23H,2-3,9-10,13,15H2,1H3,(H,29,30)