1-[1-(2-phenylquinolin-4-yl)carbonylpiperidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(2-phenylquinolin-4-yl)carbonylpiperidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(2-phenylquinoline-4-carbonyl)-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[oxo-(2-phenyl-4-quinolinyl)methyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-phenylquinoline-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(2-phenylquinoline-4-carbonyl)-4-piperidyl]nipecotic acid Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H29N3O3/c31-26(29-15-12-21(13-16-29)30-14-6-9-20(18-30)27(32)33)23-17-25(19-7-2-1-3-8-19)28-24-11-5-4-10-22(23)24/h1-5,7-8,10-11,17,20-21H,6,9,12-16,18H2,(H,32,33)