diethyl 2-[[2-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]cyclohexen-1-yl]carbonylamino]butanedioate

Systemtic Name: diethyl 2-[[2-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]cyclohexen-1-yl]carbonylamino]butanedioate Openeye Name: diethyl 2-[[2-[(4-chloro-2-fluoro-phenyl)carbamoyl]cyclohexene-1-carbonyl]amino]butanedioate CAS Name: 2-[[[2-[(4-chloro-2-fluoroanilino)-oxomethyl]-1-cyclohexenyl]-oxomethyl]amino]butanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexene-1-carbonyl]amino]butanedioate Traditional Name: 2-[[2-[(4-chloro-2-fluoro-phenyl)carbamoyl]cyclohexene-1-carbonyl]amino]succinic acid diethyl ester Formula: C22H26ClFN2O6 MolecularWeight: 468.903043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)NC(=O)C1=C(CCCC1)C(=O)NC2=C(C=C(C=C2)Cl)F

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)NC(=O)C1=C(CCCC1)C(=O)NC2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C22H26ClFN2O6/c1-3-31-19(27)12-18(22(30)32-4-2)26-21(29)15-8-6-5-7-14(15)20(28)25-17-10-9-13(23)11-16(17)24/h9-11,18H,3-8,12H2,1-2H3,(H,25,28)(H,26,29)