methyl 1-(cyclooctylmethyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(cyclooctylmethyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-4-carboxylate Openeye Name: methyl 1-(cyclooctylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-4-carboxylate CAS Name: 1-(cyclooctylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(cyclooctylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-4-carboxylate Traditional Name: 1-(cyclooctylmethyl)-4-(2-keto-3H-benzimidazol-1-yl)isonipecotic acid methyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CC2CCCCCCC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

COC(=O)C1(CCN(CC1)CC2CCCCCCC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H33N3O3/c1-29-21(27)23(26-20-12-8-7-11-19(20)24-22(26)28)13-15-25(16-14-23)17-18-9-5-3-2-4-6-10-18/h7-8,11-12,18H,2-6,9-10,13-17H2,1H3,(H,24,28)