[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C17H19ClFNO3 MolecularWeight: 339.789063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C17H19ClFNO3/c18-15-10-13(19)6-7-14(15)17(22)23-11-16(21)20-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,20,21)