4-[(5-chloranyl-2-methyl-phenyl)amino]-2-(cyclohexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)amino]-2-(cyclohexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-chloro-2-methyl-anilino)-2-(cyclohexylamino)-4-oxo-butanoic acid CAS Name: 4-(5-chloro-2-methylanilino)-2-(cyclohexylamino)-4-oxobutanoic acid IUPAC Name: 4-(5-chloro-2-methylanilino)-2-(cyclohexylamino)-4-oxobutanoic acid Traditional Name: 4-(5-chloro-2-methyl-anilino)-2-(cyclohexylamino)-4-keto-butyric acid Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)O)NC2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)O)NC2CCCCC2

InChI

InChI=1S/C17H23ClN2O3/c1-11-7-8-12(18)9-14(11)20-16(21)10-15(17(22)23)19-13-5-3-2-4-6-13/h7-9,13,15,19H,2-6,10H2,1H3,(H,20,21)(H,22,23)