4-[[4-[(2S)-butan-2-yl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[(2S)-butan-2-yl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(1S)-1-methylpropyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[(2S)-butan-2-yl]anilino]-4-oxobutanoate IUPAC Name: 4-[4-[(2S)-butan-2-yl]anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[(1S)-1-methylpropyl]anilino]butyrate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-3-10(2)11-4-6-12(7-5-11)15-13(16)8-9-14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1