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

Systemtic Name: 4-[[3-chloranyl-4-(cyclohexylcarbonylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-4-oxo-butanoate CAS Name: 4-[3-chloro-4-[[cyclohexyl(oxo)methyl]amino]anilino]-4-oxobutanoate IUPAC Name: 4-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-4-oxobutanoate Traditional Name: 4-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-4-keto-butyrate Formula: C17H20ClN2O4- MolecularWeight: 351.8047

Click to see the large picture

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)/p-1