4-[(2,4-dimethoxyphenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,4-dimethoxyphenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,4-dimethoxyanilino)-2-(hexylamino)-4-oxo-butanoic acid CAS Name: 4-(2,4-dimethoxyanilino)-2-(hexylamino)-4-oxobutanoic acid IUPAC Name: 4-(2,4-dimethoxyanilino)-2-(hexylamino)-4-oxobutanoic acid Traditional Name: 4-(2,4-dimethoxyanilino)-2-(hexylamino)-4-keto-butyric acid Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5/c1-4-5-6-7-10-19-15(18(22)23)12-17(21)20-14-9-8-13(24-2)11-16(14)25-3/h8-9,11,15,19H,4-7,10,12H2,1-3H3,(H,20,21)(H,22,23)