dibutyl 5-(hydroxymethyl)-2-methyl-3-(phenylcarbamoyl)-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylate

Systemtic Name: dibutyl 5-(hydroxymethyl)-2-methyl-3-(phenylcarbamoyl)-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylate Openeye Name: dibutyl 5-(hydroxymethyl)-2-methyl-3-(phenylcarbamoyl)-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylate CAS Name: 3-[anilino(oxo)methyl]-5-(hydroxymethyl)-2-methyl-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 5-(hydroxymethyl)-2-methyl-3-(phenylcarbamoyl)-1H-pyrrolo[1,2-a]imidazole-6,7-dicarboxylate Traditional Name: 2-methyl-5-methylol-3-(phenylcarbamoyl)-1H-pyrrol[1,2-a]imidazole-6,7-dicarboxylic acid dibutyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N2C(=C(NC2=C1C(=O)OCCCC)C)C(=O)NC3=CC=CC=C3)CO

Isomeric SMILES

CCCCOC(=O)C1=C(N2C(=C(NC2=C1C(=O)OCCCC)C)C(=O)NC3=CC=CC=C3)CO

InChI

InChI=1S/C25H31N3O6/c1-4-6-13-33-24(31)19-18(15-29)28-21(23(30)27-17-11-9-8-10-12-17)16(3)26-22(28)20(19)25(32)34-14-7-5-2/h8-12,26,29H,4-7,13-15H2,1-3H3,(H,27,30)