1-[(2-phenylmethoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-phenylmethoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

InChI

InChI=1S/C29H28N2O3/c32-29(33)23-12-8-16-31(19-23)28(24-17-22-11-4-6-14-26(22)30-18-24)25-13-5-7-15-27(25)34-20-21-9-2-1-3-10-21/h1-7,9-11,13-15,17-18,23,28H,8,12,16,19-20H2,(H,32,33)