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

Systemtic Name: 4-[3-azanyl-4-(2-methylpropanoylamino)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-amino-4-(2-methylpropanoylamino)phenyl]-4-oxo-butanoic acid CAS Name: 4-[3-amino-4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[3-amino-4-(2-methylpropanoylamino)phenyl]-4-oxobutanoic acid Traditional Name: 4-[3-amino-4-(isobutyrylamino)phenyl]-4-keto-butyric acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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