1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-quinolyl)methyl]pipecolinic acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4N=C3)N5CCCCC5C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=CC=CC=C4N=C3)N5CCCCC5C(=O)O

InChI

InChI=1S/C31H32N2O5/c1-36-27-17-23(18-28(37-2)30(27)38-20-21-10-4-3-5-11-21)29(33-15-9-8-14-26(33)31(34)35)24-16-22-12-6-7-13-25(22)32-19-24/h3-7,10-13,16-19,26,29H,8-9,14-15,20H2,1-2H3,(H,34,35)