2-[3-(4-methylphenyl)-1-[2-(3-propan-2-yloxyphenyl)ethanoyl]pyrrolidin-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[3-(4-methylphenyl)-1-[2-(3-propan-2-yloxyphenyl)ethanoyl]pyrrolidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[1-[2-(3-isopropoxyphenyl)acetyl]-3-(p-tolyl)pyrrolidin-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-(4-methylphenyl)-1-[1-oxo-2-(3-propan-2-yloxyphenyl)ethyl]-3-pyrrolidinyl]ethyl ester IUPAC Name: 2-[3-(4-methylphenyl)-1-[2-(3-propan-2-yloxyphenyl)acetyl]pyrrolidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-[2-(3-isopropoxyphenyl)acetyl]-3-(p-tolyl)pyrrolidin-3-yl]ethyl ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCN(C2)C(=O)CC3=CC(=CC=C3)OC(C)C)CCOS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCN(C2)C(=O)CC3=CC(=CC=C3)OC(C)C)CCOS(=O)(=O)C

InChI

InChI=1S/C25H33NO5S/c1-19(2)31-23-7-5-6-21(16-23)17-24(27)26-14-12-25(18-26,13-15-30-32(4,28)29)22-10-8-20(3)9-11-22/h5-11,16,19H,12-15,17-18H2,1-4H3