1-[(3-ethoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-quinolyl)methyl]isonipecotic acid Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H32N2O4/c1-2-36-29-19-25(12-13-28(29)37-21-22-8-4-3-5-9-22)30(33-16-14-23(15-17-33)31(34)35)26-18-24-10-6-7-11-27(24)32-20-26/h3-13,18-20,23,30H,2,14-17,21H2,1H3,(H,34,35)