ethyl 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]pyrrole-2-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(3-methylbenzofuran-2-carbonyl)amino]pyrrole-2-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]pyrrole-2-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(3-methylbenzofuran-2-carbonyl)amino]pyrrole-2-carboxylic acid ethyl ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1C)C2=CC3=C(C=C2)OCO3)NC(=O)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1C)C2=CC3=C(C=C2)OCO3)NC(=O)C4=C(C5=CC=CC=C5O4)C

InChI

InChI=1S/C25H22N2O6/c1-4-30-25(29)22-21(26-24(28)23-14(2)16-7-5-6-8-18(16)33-23)17(12-27(22)3)15-9-10-19-20(11-15)32-13-31-19/h5-12H,4,13H2,1-3H3,(H,26,28)