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

Systemtic Name: (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylidene)-1-methyl-2-phenyl-pyrrolidine-3-carbonitrile Openeye Name: (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylene)-1-methyl-2-phenyl-pyrrolidine-3-carbonitrile CAS Name: (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylidene)-1-methyl-2-phenyl-3-pyrrolidinecarbonitrile IUPAC Name: (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylidene)-1-methyl-2-phenylpyrrolidine-3-carbonitrile Traditional Name: (2S,3S,4Z)-4-(1,3-benzodioxol-5-yloxymethylene)-1-methyl-2-phenyl-pyrrolidine-3-carbonitrile Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=COC2=CC3=C(C=C2)OCO3)C(C1C4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3/c1-22-11-15(17(10-21)20(22)14-5-3-2-4-6-14)12-23-16-7-8-18-19(9-16)25-13-24-18/h2-9,12,17,20H,11,13H2,1H3/b15-12+/t17-,20+/m0/s1