[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 2-(2-methyl-4-phenyl-quinolin-3-yl)ethanoate

Systemtic Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 2-(2-methyl-4-phenyl-quinolin-3-yl)ethanoate Openeye Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl] 2-(2-methyl-4-phenyl-3-quinolyl)acetate CAS Name: 2-(2-methyl-4-phenyl-3-quinolinyl)acetic acid [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate Traditional Name: 2-(2-methyl-4-phenyl-3-quinolyl)acetic acid [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl] ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1CC(=O)OCC(=O)NC(C)(C#N)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1CC(=O)OCC(=O)NC(C)(C#N)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3/c1-17-21(14-24(31)32-15-23(30)29-26(2,16-27)19-12-13-19)25(18-8-4-3-5-9-18)20-10-6-7-11-22(20)28-17/h3-11,19H,12-15H2,1-2H3,(H,29,30)