4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-4-keto-butyric acid Formula: C17H21ClN2O4 MolecularWeight: 352.81264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)O)Cl

InChI

InChI=1S/C17H21ClN2O4/c18-14-7-6-12(19-15(21)8-9-16(22)23)10-13(14)17(24)20-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,21)(H,20,24)(H,22,23)