1-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 1-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C29H34N4O4 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)N4C(=NC5=C4C=CC(=C5)C(=O)O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)N4C(=NC5=C4C=CC(=C5)C(=O)O)C

InChI

InChI=1S/C29H34N4O4/c1-4-36-26-16-21(17-27(37-5-2)28(26)32-12-6-7-13-32)19-31-14-10-23(11-15-31)33-20(3)30-24-18-22(29(34)35)8-9-25(24)33/h6-9,12-13,16-18,23H,4-5,10-11,14-15,19H2,1-3H3,(H,34,35)