4-[(2,4-dimethylphenyl)amino]-2-(3-methylbutylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-2-(3-methylbutylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,4-dimethylanilino)-2-(isopentylamino)-4-oxo-butanoic acid CAS Name: 4-(2,4-dimethylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid IUPAC Name: 4-(2,4-dimethylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid Traditional Name: 4-(2,4-dimethylanilino)-2-(isoamylamino)-4-keto-butyric acid Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-11(2)7-8-18-15(17(21)22)10-16(20)19-14-6-5-12(3)9-13(14)4/h5-6,9,11,15,18H,7-8,10H2,1-4H3,(H,19,20)(H,21,22)