4-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC4=C(C=C(C=C4)C#N)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC4=C(C=C(C=C4)C#N)OC

InChI

InChI=1S/C24H22N2O5/c1-15-8-19(20(27)13-29-21-6-4-17(11-25)9-23(21)28-3)16(2)26(15)12-18-5-7-22-24(10-18)31-14-30-22/h4-10H,12-14H2,1-3H3