4-[(3-methyl-4-propan-2-yl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-methyl-4-propan-2-yl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-(4-isopropyl-3-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(3-methyl-4-propan-2-ylanilino)-4-oxobutanoate IUPAC Name: 4-(3-methyl-4-propan-2-ylanilino)-4-oxobutanoate Traditional Name: 4-(4-isopropyl-3-methyl-anilino)-4-keto-butyrate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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