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

Systemtic Name: 1-[1-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(4-benzyloxy-3-ethoxy-phenyl)methyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3-ethoxy-benzyl)-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C30H33N3O4 MolecularWeight: 499.60072

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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)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C)OCC5=CC=CC=C5

InChI

InChI=1S/C30H33N3O4/c1-3-36-29-17-23(9-12-28(29)37-20-22-7-5-4-6-8-22)19-32-15-13-25(14-16-32)33-21(2)31-26-18-24(30(34)35)10-11-27(26)33/h4-12,17-18,25H,3,13-16,19-20H2,1-2H3,(H,34,35)