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

Systemtic Name: 2-[3-naphthalen-2-yl-1-[2-(3-propan-2-yloxyphenyl)ethanoyl]pyrrolidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[1-[2-(3-isopropoxyphenyl)acetyl]-3-(2-naphthyl)pyrrolidin-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-(2-naphthalenyl)-1-[1-oxo-2-(3-propan-2-yloxyphenyl)ethyl]-3-pyrrolidinyl]ethyl ester IUPAC Name: 2-[3-naphthalen-2-yl-1-[2-(3-propan-2-yloxyphenyl)acetyl]pyrrolidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-[2-(3-isopropoxyphenyl)acetyl]-3-(2-naphthyl)pyrrolidin-3-yl]ethyl ester Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33NO5S/c1-21(2)34-26-10-6-7-22(17-26)18-27(30)29-15-13-28(20-29,14-16-33-35(3,31)32)25-12-11-23-8-4-5-9-24(23)19-25/h4-12,17,19,21H,13-16,18,20H2,1-3H3