[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C20H18ClFN2O5 MolecularWeight: 420.818723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)Cl)OC

InChI

InChI=1S/C20H18ClFN2O5/c1-27-17-11-13(10-16(21)19(17)28-2)20(26)29-12-18(25)24(9-3-8-23)15-6-4-14(22)5-7-15/h4-7,10-11H,3,9,12H2,1-2H3