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

Systemtic Name: ethyl 5-[(2S)-2-(1,3-benzodioxol-5-ylmethylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(1,3-benzodioxol-5-ylmethylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(1,3-benzodioxol-5-ylmethylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(piperonylamino)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H24N2O5/c1-5-25-20(24)17-11(2)18(22-12(17)3)19(23)13(4)21-9-14-6-7-15-16(8-14)27-10-26-15/h6-8,13,21-22H,5,9-10H2,1-4H3/t13-/m0/s1