[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(2S)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N4CCCCC4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)N4CCCCC4)N=C1C

InChI

InChI=1S/C25H28N4O3/c1-16-17(2)27-23-15-19(7-12-22(23)26-16)25(31)32-18(3)24(30)28-20-8-10-21(11-9-20)29-13-5-4-6-14-29/h7-12,15,18H,4-6,13-14H2,1-3H3,(H,28,30)/t18-/m0/s1