2-butyl-4-(hydroxymethyl)-5-pyrrol-1-yl-imidazole-4-carboxylate

Systemtic Name: 2-butyl-4-(hydroxymethyl)-5-pyrrol-1-yl-imidazole-4-carboxylate Openeye Name: 2-butyl-4-(hydroxymethyl)-5-pyrrol-1-yl-imidazole-4-carboxylate CAS Name: 2-butyl-4-(hydroxymethyl)-5-(1-pyrrolyl)-4-imidazolecarboxylate IUPAC Name: 2-butyl-4-(hydroxymethyl)-5-pyrrol-1-ylimidazole-4-carboxylate Traditional Name: 2-butyl-4-methylol-5-pyrrol-1-yl-imidazole-4-carboxylate Formula: C13H16N3O3- MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=N1)N2C=CC=C2)(CO)C(=O)[O-]

Isomeric SMILES

CCCCC1=NC(C(=N1)N2C=CC=C2)(CO)C(=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-2-3-6-10-14-11(16-7-4-5-8-16)13(9-17,15-10)12(18)19/h4-5,7-8,17H,2-3,6,9H2,1H3,(H,18,19)/p-1