2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-4-carboxylic acid

Systemtic Name: 2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-4-carboxylic acid Openeye Name: 2-(hydroxymethyl)-1-isopentyl-benzimidazole-4-carboxylic acid CAS Name: 2-(hydroxymethyl)-1-(3-methylbutyl)-4-benzimidazolecarboxylic acid IUPAC Name: 2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-4-carboxylic acid Traditional Name: 1-isoamyl-2-methylol-benzimidazole-4-carboxylic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC(=C2N=C1CO)C(=O)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC(=C2N=C1CO)C(=O)O

InChI

InChI=1S/C14H18N2O3/c1-9(2)6-7-16-11-5-3-4-10(14(18)19)13(11)15-12(16)8-17/h3-5,9,17H,6-8H2,1-2H3,(H,18,19)