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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC=CC=C3)OC)OC

InChI

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