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

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H21NO5/c1-14-5-4-6-17(9-14)23(26)27-12-20(25)19-10-15(2)24(16(19)3)18-7-8-21-22(11-18)29-13-28-21/h4-11H,12-13H2,1-3H3