ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-(piperonylcarbamoyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H20N2O5/c1-4-23-18(22)16-10(2)15(11(3)20-16)17(21)19-8-12-5-6-13-14(7-12)25-9-24-13/h5-7,20H,4,8-9H2,1-3H3,(H,19,21)