2-[2-oxidanylidene-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[2-oxidanylidene-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[2-oxo-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-oxo-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3-pyrrolidinyl]ethyl ester IUPAC Name: 2-[2-oxo-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-keto-3-phenyl-1-(3,4,5-trimethoxybenzyl)pyrrolidin-3-yl]ethyl ester Formula: C23H29NO7S MolecularWeight: 463.54386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCC(C2=O)(CCOS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCC(C2=O)(CCOS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO7S/c1-28-19-14-17(15-20(29-2)21(19)30-3)16-24-12-10-23(22(24)25,11-13-31-32(4,26)27)18-8-6-5-7-9-18/h5-9,14-15H,10-13,16H2,1-4H3