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

Systemtic Name: 1-[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(3,5-diethoxy-4-fluoro-phenyl)methyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]-4-piperidinyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[1-(3,5-diethoxy-4-fluoro-benzyl)-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C25H30FN3O4 MolecularWeight: 455.521803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C

InChI

InChI=1S/C25H30FN3O4/c1-4-32-22-12-17(13-23(24(22)26)33-5-2)15-28-10-8-19(9-11-28)29-16(3)27-20-14-18(25(30)31)6-7-21(20)29/h6-7,12-14,19H,4-5,8-11,15H2,1-3H3,(H,30,31)