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

Systemtic Name: 1-[(3-phenoxyphenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(3-quinolyl)methyl]isonipecotic acid Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

InChI

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