1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-quinolyl)methyl]isonipecotic acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4N=C3)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4N=C3)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C31H32N2O5/c1-36-27-17-24(18-28(37-2)30(27)38-20-21-8-4-3-5-9-21)29(33-14-12-22(13-15-33)31(34)35)25-16-23-10-6-7-11-26(23)32-19-25/h3-11,16-19,22,29H,12-15,20H2,1-2H3,(H,34,35)