[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidopropanoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidopropanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCNC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CCNC(=O)C

InChI

InChI=1S/C16H22N2O4/c1-4-13-5-7-14(8-6-13)18-16(21)11(2)22-15(20)9-10-17-12(3)19/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H,18,21)/t11-/m0/s1