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

Systemtic Name: 2-[1-(2,5-dimethoxyphenyl)carbonyl-3-phenyl-pyrrolidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[1-(2,5-dimethoxybenzoyl)-3-phenyl-pyrrolidin-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[1-[(2,5-dimethoxyphenyl)-oxomethyl]-3-phenyl-3-pyrrolidinyl]ethyl ester IUPAC Name: 2-[1-(2,5-dimethoxybenzoyl)-3-phenylpyrrolidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-(2,5-dimethoxybenzoyl)-3-phenyl-pyrrolidin-3-yl]ethyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-27-18-9-10-20(28-2)19(15-18)21(24)23-13-11-22(16-23,12-14-29-30(3,25)26)17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3