3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(piperidin-4-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(piperidin-4-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-N-(4-piperidylmethyl)anilino]benzoic acid CAS Name: 3-[3-cyclopentyloxy-4-methoxy-N-(4-piperidinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-cyclopentyloxy-4-methoxy-N-(piperidin-4-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-N-(4-piperidylmethyl)anilino]benzoic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2CCNCC2)C3=CC=CC(=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2CCNCC2)C3=CC=CC(=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C25H32N2O4/c1-30-23-10-9-21(16-24(23)31-22-7-2-3-8-22)27(17-18-11-13-26-14-12-18)20-6-4-5-19(15-20)25(28)29/h4-6,9-10,15-16,18,22,26H,2-3,7-8,11-14,17H2,1H3,(H,28,29)