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

Systemtic Name: 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(3-ethoxy-4-isobutoxy-phenyl)methyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]-4-piperidinyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[1-(3-ethoxy-4-isobutoxy-benzyl)-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C27H35N3O4 MolecularWeight: 465.5845

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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)OCC(C)C

Isomeric SMILES

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

InChI

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