2-(acetyloxymethyl)-3-(3-methylbutyl)benzimidazole-4-carboxylic acid

Systemtic Name: 2-(acetyloxymethyl)-3-(3-methylbutyl)benzimidazole-4-carboxylic acid Openeye Name: 2-(acetoxymethyl)-3-isopentyl-benzimidazole-4-carboxylic acid CAS Name: 2-(acetyloxymethyl)-3-(3-methylbutyl)-4-benzimidazolecarboxylic acid IUPAC Name: 2-(acetyloxymethyl)-3-(3-methylbutyl)benzimidazole-4-carboxylic acid Traditional Name: 2-(acetoxymethyl)-3-isoamyl-benzimidazole-4-carboxylic acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=CC=CC(=C21)C(=O)O)COC(=O)C

Isomeric SMILES

CC(C)CCN1C(=NC2=CC=CC(=C21)C(=O)O)COC(=O)C

InChI

InChI=1S/C16H20N2O4/c1-10(2)7-8-18-14(9-22-11(3)19)17-13-6-4-5-12(15(13)18)16(20)21/h4-6,10H,7-9H2,1-3H3,(H,20,21)