4-[[4-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-methylbutanoylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(3-methyl-1-oxobutyl)amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-methylbutanoylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(isovalerylamino)anilino]-4-keto-butyric acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-10(2)9-14(19)17-12-5-3-11(4-6-12)16-13(18)7-8-15(20)21/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)