1-(phenylmethyl)-2-[(4-propoxyphenyl)methyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-2-[(4-propoxyphenyl)methyl]benzimidazole-5-carboxylic acid Openeye Name: 1-benzyl-2-[(4-propoxyphenyl)methyl]benzimidazole-5-carboxylic acid CAS Name: 1-(phenylmethyl)-2-[(4-propoxyphenyl)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-benzyl-2-[(4-propoxyphenyl)methyl]benzimidazole-5-carboxylic acid Traditional Name: 1-benzyl-2-(4-propoxybenzyl)benzimidazole-5-carboxylic acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(=O)O

InChI

InChI=1S/C25H24N2O3/c1-2-14-30-21-11-8-18(9-12-21)15-24-26-22-16-20(25(28)29)10-13-23(22)27(24)17-19-6-4-3-5-7-19/h3-13,16H,2,14-15,17H2,1H3,(H,28,29)