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

Systemtic Name: 2-[3-(phenylmethyl)-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[3-benzyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-(phenylmethyl)-3-pyrrolidinyl]ethyl ester IUPAC Name: 2-[3-benzyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-benzyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl ester Formula: C24H31NO7S MolecularWeight: 477.57044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H31NO7S/c1-29-20-14-19(15-21(30-2)22(20)31-3)23(26)25-12-10-24(17-25,11-13-32-33(4,27)28)16-18-8-6-5-7-9-18/h5-9,14-15H,10-13,16-17H2,1-4H3