[(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexyl] 3-methoxybenzoate

Systemtic Name: [(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexyl] 3-methoxybenzoate Openeye Name: [(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [(1R,2R)-2-(4-methyl-1-piperazinyl)cyclohexyl] ester IUPAC Name: [(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [(1R,2R)-2-(4-methylpiperazino)cyclohexyl] ester Formula: C19H28N2O3 MolecularWeight: 332.43722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCCCC2OC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CN1CCN(CC1)[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H28N2O3/c1-20-10-12-21(13-11-20)17-8-3-4-9-18(17)24-19(22)15-6-5-7-16(14-15)23-2/h5-7,14,17-18H,3-4,8-13H2,1-2H3/t17-,18-/m1/s1