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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC=CC=C3)OC)OC

InChI

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