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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H30N2O4/c1-35-28-17-23(13-14-27(28)36-20-21-8-3-2-4-9-21)29(32-15-7-11-24(19-32)30(33)34)25-16-22-10-5-6-12-26(22)31-18-25/h2-6,8-10,12-14,16-18,24,29H,7,11,15,19-20H2,1H3,(H,33,34)