1-[(3-phenoxyphenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-phenoxyphenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(3-quinolyl)methyl]pipecolinic acid Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

InChI

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