1,3-benzodioxol-5-ylmethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid piperonyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H19NO4/c1-14-3-4-15(2)22(14)18-8-6-17(7-9-18)21(23)24-12-16-5-10-19-20(11-16)26-13-25-19/h3-11H,12-13H2,1-2H3