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

Systemtic Name: 1-[(3-phenoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

InChI

InChI=1S/C28H26N2O3/c31-28(32)22-10-7-15-30(19-22)27(23-16-20-8-4-5-14-26(20)29-18-23)21-9-6-13-25(17-21)33-24-11-2-1-3-12-24/h1-6,8-9,11-14,16-18,22,27H,7,10,15,19H2,(H,31,32)