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

Systemtic Name: 4-[(4-chlorophenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chloroanilino)-2-(hexylamino)-4-oxo-butanoic acid CAS Name: 4-(4-chloroanilino)-2-(hexylamino)-4-oxobutanoic acid IUPAC Name: 4-(4-chloroanilino)-2-(hexylamino)-4-oxobutanoic acid Traditional Name: 4-(4-chloroanilino)-2-(hexylamino)-4-keto-butyric acid Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O3/c1-2-3-4-5-10-18-14(16(21)22)11-15(20)19-13-8-6-12(17)7-9-13/h6-9,14,18H,2-5,10-11H2,1H3,(H,19,20)(H,21,22)