4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-(isobutyrylamino)benzyl]amino]-4-keto-butyric acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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