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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)Cl

InChI

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