methyl (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylidene)-1-methyl-2-phenyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylidene)-1-methyl-2-phenyl-pyrrolidine-3-carboxylate Openeye Name: methyl (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylene)-1-methyl-2-phenyl-pyrrolidine-3-carboxylate CAS Name: (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylidene)-1-methyl-2-phenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylidene)-1-methyl-2-phenylpyrrolidine-3-carboxylate Traditional Name: (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylene)-1-methyl-2-phenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=COC2=CC3=C(C=C2)OCO3)C(C1C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C/C(=C\OC2=CC3=C(C=C2)OCO3)/[C@@H]([C@H]1C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H21NO5/c1-22-11-15(12-25-16-8-9-17-18(10-16)27-13-26-17)19(21(23)24-2)20(22)14-6-4-3-5-7-14/h3-10,12,19-20H,11,13H2,1-2H3/b15-12+/t19-,20+/m0/s1