1-[(4-phenylmethoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

InChI

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