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

Systemtic Name: 1-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-3H-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(3-isobutoxy-4-methoxy-phenyl)methyl]-4-piperidyl]-2-oxo-3H-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-4-piperidinyl]-2-oxo-3H-benzimidazole-5-carboxylic acid IUPAC Name: 1-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid Traditional Name: 1-[1-(3-isobutoxy-4-methoxy-benzyl)-4-piperidyl]-2-keto-3H-benzimidazole-5-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)NC3=O)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)NC3=O)OC

InChI

InChI=1S/C25H31N3O5/c1-16(2)15-33-23-12-17(4-7-22(23)32-3)14-27-10-8-19(9-11-27)28-21-6-5-18(24(29)30)13-20(21)26-25(28)31/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,26,31)(H,29,30)