[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-phenylprop-2-enoate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-phenylprop-2-enoate Openeye Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-phenylprop-2-enoate CAS Name: 3-phenyl-2-propenoic acid [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-phenylprop-2-enoate Traditional Name: 3-phenylacrylic acid [2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C25H23NO5/c1-17-12-21(22(27)15-29-25(28)11-9-19-6-4-3-5-7-19)18(2)26(17)14-20-8-10-23-24(13-20)31-16-30-23/h3-13H,14-16H2,1-2H3