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

Systemtic Name: 4-[[4-methyl-3-(propanoylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-methyl-3-(propanoylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-methyl-3-(1-oxopropylamino)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-methyl-3-(propanoylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-methyl-3-propionamido-anilino)butyric acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-3-12(17)16-11-8-10(5-4-9(11)2)15-13(18)6-7-14(19)20/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)