4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid

Systemtic Name: 4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid Openeye Name: 2-(allylamino)-4-(3,5-dimethylanilino)-4-oxo-butanoic acid CAS Name: 4-(3,5-dimethylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid IUPAC Name: 4-(3,5-dimethylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid Traditional Name: 2-(allylamino)-4-(3,5-dimethylanilino)-4-keto-butyric acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-4-5-16-13(15(19)20)9-14(18)17-12-7-10(2)6-11(3)8-12/h4,6-8,13,16H,1,5,9H2,2-3H3,(H,17,18)(H,19,20)