[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H24FNO5 MolecularWeight: 401.428063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H24FNO5/c1-27-18-10-9-17(13-19(18)28-2)24-20(25)14-29-21(26)22(11-3-4-12-22)15-5-7-16(23)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,25)