methyl 4-[[4-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(3-methylbutanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-[4-[(3-methyl-1-oxobutyl)amino]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(3-methylbutanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-[4-(isovalerylamino)anilino]-4-keto-butyric acid methyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-11(2)10-15(20)18-13-6-4-12(5-7-13)17-14(19)8-9-16(21)22-3/h4-7,11H,8-10H2,1-3H3,(H,17,19)(H,18,20)