ethoxyethane; 2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carboxylic acid

Systemtic Name: ethoxyethane; 2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carboxylic acid Openeye Name: ethoxyethane; 2-(hydroxymethyl)-1-isopentyl-benzimidazole-5-carboxylic acid CAS Name: ethoxyethane; 2-(hydroxymethyl)-1-(3-methylbutyl)-5-benzimidazolecarboxylic acid IUPAC Name: ethoxyethane; 2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carboxylic acid Traditional Name: ethoxyethane; 1-isoamyl-2-methylol-benzimidazole-5-carboxylic acid Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC.CC(C)CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CO

Isomeric SMILES

CCOCC.CC(C)CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CO

InChI

InChI=1S/C14H18N2O3.C4H10O/c1-9(2)5-6-16-12-4-3-10(14(18)19)7-11(12)15-13(16)8-17;1-3-5-4-2/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,18,19);3-4H2,1-2H3