1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[[(2-methyl-4-quinolinyl)amino]-oxomethyl]amino]ethyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]isonipecotic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H30N4O3/c1-19-17-23(21-9-5-6-10-22(21)28-19)29-25(33)27-13-16-30-14-11-26(12-15-30,24(31)32)18-20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3,(H,31,32)(H2,27,28,29,33)