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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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