[(1S,2R)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2-hexoxyphenyl)carbamate

Systemtic Name: [(1S,2R)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2-hexoxyphenyl)carbamate Openeye Name: [(1S,2R)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2-hexoxyphenyl)carbamate CAS Name: N-(2-hexoxyphenyl)carbamic acid [(1S,2R)-2-[(4-methyl-1-piperazinyl)methyl]cyclohexyl] ester IUPAC Name: [(1S,2R)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2-hexoxyphenyl)carbamate Traditional Name: N-(2-hexoxyphenyl)carbamic acid [(1S,2R)-2-[(4-methylpiperazino)methyl]cyclohexyl] ester Formula: C25H41N3O3 MolecularWeight: 431.61134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1NC(=O)OC2CCCCC2CN3CCN(CC3)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1NC(=O)O[C@H]2CCCC[C@@H]2CN3CCN(CC3)C

InChI

InChI=1S/C25H41N3O3/c1-3-4-5-10-19-30-24-14-9-7-12-22(24)26-25(29)31-23-13-8-6-11-21(23)20-28-17-15-27(2)16-18-28/h7,9,12,14,21,23H,3-6,8,10-11,13,15-20H2,1-2H3,(H,26,29)/t21-,23+/m1/s1