[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic 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] (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid [(1S)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H26N4O3/c1-18(25(31)28-19-9-12-21(13-10-19)29-15-5-2-6-16-29)32-24(30)14-11-20-17-26-22-7-3-4-8-23(22)27-20/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3,(H,28,31)/b14-11+/t18-/m0/s1