4-[[4-(2-methylpropanoylamino)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(2-methylpropanoylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2-methylpropanoylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(2-methyl-1-oxopropyl)amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(2-methylpropanoylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(isobutyrylamino)anilino]-4-keto-butyric acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H18N2O4/c1-9(2)14(20)16-11-5-3-10(4-6-11)15-12(17)7-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)