1-[1-(3-ethoxy-4-phenylmethoxy-phenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(3-ethoxy-4-phenylmethoxy-phenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3-ethoxy-phenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3-ethoxy-phenyl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O4/c1-2-33-27-18-23(11-12-26(27)34-20-21-8-4-3-5-9-21)25(19-24-10-6-7-15-29-24)30-16-13-22(14-17-30)28(31)32/h3-12,15,18,22,25H,2,13-14,16-17,19-20H2,1H3,(H,31,32)