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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

InChI

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