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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCC2=CC3=C(C=C2)OCO3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCC2=CC3=C(C=C2)OCO3)C)C(=O)OC

InChI

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