2-(aminocarbonylamino)-1-ethyl-3-(2-methylquinolin-4-yl)-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 2-(aminocarbonylamino)-1-ethyl-3-(2-methylquinolin-4-yl)-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-ethyl-3-(2-methyl-4-quinolyl)-4-phenyl-2-ureido-piperidine-4-carboxylic acid CAS Name: 2-(carbamoylamino)-1-ethyl-3-(2-methyl-4-quinolinyl)-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 2-(carbamoylamino)-1-ethyl-3-(2-methylquinolin-4-yl)-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-ethyl-3-(2-methyl-4-quinolyl)-4-phenyl-2-ureido-isonipecotic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C(C1NC(=O)N)C2=CC(=NC3=CC=CC=C32)C)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN1CCC(C(C1NC(=O)N)C2=CC(=NC3=CC=CC=C32)C)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H28N4O3/c1-3-29-14-13-25(23(30)31,17-9-5-4-6-10-17)21(22(29)28-24(26)32)19-15-16(2)27-20-12-8-7-11-18(19)20/h4-12,15,21-22H,3,13-14H2,1-2H3,(H,30,31)(H3,26,28,32)