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

Systemtic Name: 1-[1-[(3-ethoxy-4-propan-2-yloxy-phenyl)methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(3-ethoxy-4-isopropoxy-phenyl)methyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-4-piperidinyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[1-(3-ethoxy-4-isopropoxy-benzyl)-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-5-32-25-14-19(6-9-24(25)33-17(2)3)16-28-12-10-21(11-13-28)29-18(4)27-22-15-20(26(30)31)7-8-23(22)29/h6-9,14-15,17,21H,5,10-13,16H2,1-4H3,(H,30,31)