[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C23H21N3O3/c1-4-18-14(2)21(17-10-6-8-12-20(17)25-18)23(28)29-15(3)22(27)26-19-11-7-5-9-16(19)13-24/h5-12,15H,4H2,1-3H3,(H,26,27)/t15-/m0/s1