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

Systemtic Name: 1,3-benzodioxol-5-yl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H17NO4/c1-13-3-4-14(2)21(13)16-7-5-15(6-8-16)20(22)25-17-9-10-18-19(11-17)24-12-23-18/h3-11H,12H2,1-2H3