4-[(5-chloranyl-2-methoxy-phenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-chloro-2-methoxy-anilino)-2-(hexylamino)-4-oxo-butanoic acid CAS Name: 4-(5-chloro-2-methoxyanilino)-2-(hexylamino)-4-oxobutanoic acid IUPAC Name: 4-(5-chloro-2-methoxyanilino)-2-(hexylamino)-4-oxobutanoic acid Traditional Name: 4-(5-chloro-2-methoxy-anilino)-2-(hexylamino)-4-keto-butyric acid Formula: C17H25ClN2O4 MolecularWeight: 356.8444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O4/c1-3-4-5-6-9-19-14(17(22)23)11-16(21)20-13-10-12(18)7-8-15(13)24-2/h7-8,10,14,19H,3-6,9,11H2,1-2H3,(H,20,21)(H,22,23)