1-[(3-ethoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-quinolyl)methyl]pipecolinic acid Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H32N2O4/c1-2-36-29-19-24(15-16-28(29)37-21-22-10-4-3-5-11-22)30(33-17-9-8-14-27(33)31(34)35)25-18-23-12-6-7-13-26(23)32-20-25/h3-7,10-13,15-16,18-20,27,30H,2,8-9,14,17,21H2,1H3,(H,34,35)