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

Systemtic Name: 4-[(3,5-dimethylphenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dimethylanilino)-2-(hexylamino)-4-oxo-butanoic acid CAS Name: 4-(3,5-dimethylanilino)-2-(hexylamino)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dimethylanilino)-2-(hexylamino)-4-oxobutanoic acid Traditional Name: 4-(3,5-dimethylanilino)-2-(hexylamino)-4-keto-butyric acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CC(=O)NC1=CC(=CC(=C1)C)C)C(=O)O

Isomeric SMILES

CCCCCCNC(CC(=O)NC1=CC(=CC(=C1)C)C)C(=O)O

InChI

InChI=1S/C18H28N2O3/c1-4-5-6-7-8-19-16(18(22)23)12-17(21)20-15-10-13(2)9-14(3)11-15/h9-11,16,19H,4-8,12H2,1-3H3,(H,20,21)(H,22,23)