(2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)pyrrolidin-2-ylidene]ethanenitrile

Systemtic Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)pyrrolidin-2-ylidene]ethanenitrile Openeye Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-benzyloxyethyl)pyrrolidin-2-ylidene]acetonitrile CAS Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)-2-pyrrolidinylidene]acetonitrile IUPAC Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)pyrrolidin-2-ylidene]acetonitrile Traditional Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-benzoxyethyl)pyrrolidin-2-ylidene]acetonitrile Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C#N)C2=CC3=C(C=C2)OCO3)N(C1)CCOCC4=CC=CC=C4

Isomeric SMILES

C1C/C(=C(\C#N)/C2=CC3=C(C=C2)OCO3)/N(C1)CCOCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c23-14-19(18-8-9-21-22(13-18)27-16-26-21)20-7-4-10-24(20)11-12-25-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,13H,4,7,10-12,15-16H2/b20-19-