[(2R)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3/c1-4-21-17(2)23(20-13-8-9-14-22(20)27-21)25(30)31-18(3)24(29)28(16-10-15-26)19-11-6-5-7-12-19/h5-9,11-14,18H,4,10,16H2,1-3H3/t18-/m1/s1