ethyl 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(piperonylamino)methyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CNCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CNCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H22N2O4/c1-4-22-18(21)17-11(2)14(12(3)20-17)9-19-8-13-5-6-15-16(7-13)24-10-23-15/h5-7,19-20H,4,8-10H2,1-3H3