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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-fluorophenyl)cyclopentanecarboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C23H26FNO5 MolecularWeight: 415.454643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FNO5/c1-28-19-9-8-16(12-20(19)29-2)14-25-21(26)15-30-22(27)23(10-3-4-11-23)17-6-5-7-18(24)13-17/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,25,26)