4-oxidanylidene-4-[(2,4,6-trimethylphenyl)carbamoylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2,4,6-trimethylphenyl)carbamoylamino]butanoic acid Openeye Name: 4-oxo-4-[(2,4,6-trimethylphenyl)carbamoylamino]butanoic acid CAS Name: 4-oxo-4-[[oxo-(2,4,6-trimethylanilino)methyl]amino]butanoic acid IUPAC Name: 4-oxo-4-[(2,4,6-trimethylphenyl)carbamoylamino]butanoic acid Traditional Name: 4-keto-4-(mesitylcarbamoylamino)butyric acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)NC(=O)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C14H18N2O4/c1-8-6-9(2)13(10(3)7-8)16-14(20)15-11(17)4-5-12(18)19/h6-7H,4-5H2,1-3H3,(H,18,19)(H2,15,16,17,20)