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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,5-dimethyl-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-benzyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-3,5-dimethyl-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-benzyl-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-4-(piperonylcarbamoyl)pyrrole-2-carboxylic acid ethyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C25H26N2O5/c1-4-30-25(29)23-16(2)22(17(3)27(23)14-18-8-6-5-7-9-18)24(28)26-13-19-10-11-20-21(12-19)32-15-31-20/h5-12H,4,13-15H2,1-3H3,(H,26,28)