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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3-quinolyl)methyl]isonipecotic acid Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H30N2O4/c1-35-28-18-24(11-12-27(28)36-20-21-7-3-2-4-8-21)29(32-15-13-22(14-16-32)30(33)34)25-17-23-9-5-6-10-26(23)31-19-25/h2-12,17-19,22,29H,13-16,20H2,1H3,(H,33,34)