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

Systemtic Name: 1-[1-[(3-ethoxy-4-pentan-3-yloxy-phenyl)methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[[3-ethoxy-4-(1-ethylpropoxy)phenyl]methyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]-4-piperidinyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[1-[3-ethoxy-4-(1-ethylpropoxy)benzyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C28H37N3O4 MolecularWeight: 479.61108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=C(C=C1)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C)OCC

Isomeric SMILES

CCC(CC)OC1=C(C=C(C=C1)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C)OCC

InChI

InChI=1S/C28H37N3O4/c1-5-23(6-2)35-26-11-8-20(16-27(26)34-7-3)18-30-14-12-22(13-15-30)31-19(4)29-24-17-21(28(32)33)9-10-25(24)31/h8-11,16-17,22-23H,5-7,12-15,18H2,1-4H3,(H,32,33)