3-azanyl-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid Openeye Name: 3-amino-4-(4-isopropylanilino)-4-oxo-butanoic acid CAS Name: 3-amino-4-oxo-4-(4-propan-2-ylanilino)butanoic acid IUPAC Name: 3-amino-4-oxo-4-(4-propan-2-ylanilino)butanoic acid Traditional Name: 3-amino-4-cumidino-4-keto-butyric acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-8(2)9-3-5-10(6-4-9)15-13(18)11(14)7-12(16)17/h3-6,8,11H,7,14H2,1-2H3,(H,15,18)(H,16,17)