methyl 4-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-2,5-dimethyl-pyrrol-3-yl]benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-2,5-dimethyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-2,5-dimethylpyrrol-3-yl]benzoate Traditional Name: 4-(4-carbamoyl-2,5-dimethyl-1-piperonyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H22N2O5/c1-13-20(16-5-7-17(8-6-16)23(27)28-3)21(22(24)26)14(2)25(13)11-15-4-9-18-19(10-15)30-12-29-18/h4-10H,11-12H2,1-3H3,(H2,24,26)