(3S)-3-methyl-5-[(4-methylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-3-methyl-5-[(4-methylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: (3S)-3-methyl-5-(4-methylanilino)-5-oxo-pentanoate CAS Name: (3S)-3-methyl-5-(4-methylanilino)-5-oxopentanoate IUPAC Name: (3S)-3-methyl-5-(4-methylanilino)-5-oxopentanoate Traditional Name: (3S)-5-keto-3-methyl-5-(p-toluidino)valerate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(C)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[C@H](C)CC(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-9-3-5-11(6-4-9)14-12(15)7-10(2)8-13(16)17/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1