1-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 1-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(3,5-diisopropoxyphenyl)methyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]-4-piperidinyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[1-(3,5-diisopropoxybenzyl)-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3CCN(CC3)CC4=CC(=CC(=C4)OC(C)C)OC(C)C)C=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1C3CCN(CC3)CC4=CC(=CC(=C4)OC(C)C)OC(C)C)C=CC(=C2)C(=O)O

InChI

InChI=1S/C27H35N3O4/c1-17(2)33-23-12-20(13-24(15-23)34-18(3)4)16-29-10-8-22(9-11-29)30-19(5)28-25-14-21(27(31)32)6-7-26(25)30/h6-7,12-15,17-18,22H,8-11,16H2,1-5H3,(H,31,32)