1-[(4-phenylmethoxyphenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCN(C(C1)C(=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)27-12-6-7-17-31(27)28(24-18-23-10-4-5-11-26(23)30-19-24)22-13-15-25(16-14-22)34-20-21-8-2-1-3-9-21/h1-5,8-11,13-16,18-19,27-28H,6-7,12,17,20H2,(H,32,33)