diethyl 5-[(4-butoxyphenyl)carbonyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(4-butoxyphenyl)carbonyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-butoxybenzoyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(4-butoxyphenyl)-oxomethoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-butoxybenzoyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(4-butoxybenzoyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C23H29NO7 MolecularWeight: 431.47886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C23H29NO7/c1-5-8-13-30-17-11-9-16(10-12-17)21(25)31-14-18-19(22(26)28-6-2)15(4)20(24-18)23(27)29-7-3/h9-12,24H,5-8,13-14H2,1-4H3