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

Systemtic Name: 4-[[2-[(2S)-butan-2-yl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(1S)-1-methylpropyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[2-[(2S)-butan-2-yl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[(2S)-butan-2-yl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[(1S)-1-methylpropyl]anilino]butyric acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CCC(=O)O

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)CCC(=O)O

InChI

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