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

Systemtic Name: 1-[1-[(4-azanyl-3,5-diethoxy-phenyl)methyl]piperidin-4-yl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(4-amino-3,5-diethoxy-phenyl)methyl]-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[(4-amino-3,5-diethoxyphenyl)methyl]-4-piperidinyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-[(4-amino-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[1-(4-amino-3,5-diethoxy-benzyl)-4-piperidyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C25H32N4O4 MolecularWeight: 452.54598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N)OCC)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1N)OCC)CN2CCC(CC2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C

InChI

InChI=1S/C25H32N4O4/c1-4-32-22-12-17(13-23(24(22)26)33-5-2)15-28-10-8-19(9-11-28)29-16(3)27-20-14-18(25(30)31)6-7-21(20)29/h6-7,12-14,19H,4-5,8-11,15,26H2,1-3H3,(H,30,31)