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

Systemtic Name: 1-[1-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]-2-oxidanylidene-3H-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(4-benzyloxy-3-ethoxy-phenyl)methyl]-4-piperidyl]-2-oxo-3H-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinyl]-2-oxo-3H-benzimidazole-5-carboxylic acid IUPAC Name: 1-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3-ethoxy-benzyl)-4-piperidyl]-2-keto-3H-benzimidazole-5-carboxylic acid Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)NC3=O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)NC3=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O5/c1-2-36-27-16-21(8-11-26(27)37-19-20-6-4-3-5-7-20)18-31-14-12-23(13-15-31)32-25-10-9-22(28(33)34)17-24(25)30-29(32)35/h3-11,16-17,23H,2,12-15,18-19H2,1H3,(H,30,35)(H,33,34)