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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-quinolyl)methyl]isonipecotic acid Formula: C29H28N2O3 MolecularWeight: 452.54422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

InChI

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