1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(3,5-diethoxyphenyl)methyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[(3,5-diethoxyphenyl)methyl]-4-piperidinyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[1-(3,5-diethoxybenzyl)-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C)OCC

InChI

InChI=1S/C25H31N3O4/c1-4-31-21-12-18(13-22(15-21)32-5-2)16-27-10-8-20(9-11-27)28-17(3)26-23-14-19(25(29)30)6-7-24(23)28/h6-7,12-15,20H,4-5,8-11,16H2,1-3H3,(H,29,30)