[4-butyl-5-oxidanylidene-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-2-yl]methoxy methanesulfonate

Systemtic Name: [4-butyl-5-oxidanylidene-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-2-yl]methoxy methanesulfonate Openeye Name: [4-allyl-4-butyl-5-oxo-1-(3-phenylpropyl)pyrrolidin-2-yl]methoxy methanesulfonate CAS Name: methanesulfonic acid [4-butyl-5-oxo-1-(3-phenylpropyl)-4-prop-2-enyl-2-pyrrolidinyl]methoxy ester IUPAC Name: [4-butyl-5-oxo-1-(3-phenylpropyl)-4-prop-2-enylpyrrolidin-2-yl]methoxy methanesulfonate Traditional Name: methanesulfonic acid [4-allyl-4-butyl-5-keto-1-(3-phenylpropyl)pyrrolidin-2-yl]methoxy ester Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(N(C1=O)CCCC2=CC=CC=C2)COOS(=O)(=O)C)CC=C

Isomeric SMILES

CCCCC1(CC(N(C1=O)CCCC2=CC=CC=C2)COOS(=O)(=O)C)CC=C

InChI

InChI=1S/C22H33NO5S/c1-4-6-15-22(14-5-2)17-20(18-27-28-29(3,25)26)23(21(22)24)16-10-13-19-11-8-7-9-12-19/h5,7-9,11-12,20H,2,4,6,10,13-18H2,1,3H3