[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

C/C=C/C=C/C(=O)O[C@@H](C)C(=O)NC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C17H20N2O4/c1-4-5-6-7-16(21)23-12(2)17(22)19-15-10-8-14(9-11-15)18-13(3)20/h4-12H,1-3H3,(H,18,20)(H,19,22)/b5-4+,7-6+/t12-/m0/s1