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

Systemtic Name: 4-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 4-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C25H26N2O4/c1-30-23-13-12-21(15-24(23)31-22-6-2-3-7-22)27(17-18-5-4-14-26-16-18)20-10-8-19(9-11-20)25(28)29/h4-5,8-16,22H,2-3,6-7,17H2,1H3,(H,28,29)