1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-phenylphenoxy)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-phenylphenoxy)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-phenylphenoxy)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-phenylphenoxy)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-phenylphenoxy)ethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(2-phenylphenoxy)ethanone Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C28H25NO4/c1-19-14-24(20(2)29(19)16-21-12-13-27-28(15-21)33-18-32-27)25(30)17-31-26-11-7-6-10-23(26)22-8-4-3-5-9-22/h3-15H,16-18H2,1-2H3