4-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-ethyl]benzoic acid

Systemtic Name: 4-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-ethyl]benzoic acid Openeye Name: 4-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-(4-pyridyl)ethyl]benzoic acid CAS Name: 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzoic acid IUPAC Name: 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzoic acid Traditional Name: 4-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-(4-pyridyl)ethyl]benzoic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-30-24-11-10-21(17-25(24)31-22-4-2-3-5-22)23(16-18-12-14-27-15-13-18)19-6-8-20(9-7-19)26(28)29/h6-15,17,22-23H,2-5,16H2,1H3,(H,28,29)