[(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxo-pyrrolidin-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(3S,5S)-2-keto-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl] ester Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1=O)OC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1[C@@H](C[C@@H](C1=O)OC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H19NO6/c1-21-15(12-3-6-14(24-2)7-4-12)10-18(19(21)22)27-20(23)13-5-8-16-17(9-13)26-11-25-16/h3-9,15,18H,10-11H2,1-2H3/t15-,18-/m0/s1