ethanedioic acid; 1-(oxolan-2-ylmethoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(oxolan-2-ylmethoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol Openeye Name: oxalic acid; 1-[[1-(1-piperidyl)cyclohexyl]methylamino]-3-(tetrahydrofuran-2-ylmethoxy)propan-2-ol CAS Name: oxalic acid; 1-(2-oxolanylmethoxy)-3-[[1-(1-piperidinyl)cyclohexyl]methylamino]-2-propanol IUPAC Name: oxalic acid; 1-(oxolan-2-ylmethoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol Traditional Name: oxalic acid; 1-[(1-piperidinocyclohexyl)methylamino]-3-(tetrahydrofurfuryloxy)propan-2-ol Formula: C22H40N2O7 MolecularWeight: 444.5622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNCC(COCC2CCCO2)O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)(CNCC(COCC2CCCO2)O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H38N2O3.C2H2O4/c23-18(15-24-16-19-8-7-13-25-19)14-21-17-20(9-3-1-4-10-20)22-11-5-2-6-12-22;3-1(4)2(5)6/h18-19,21,23H,1-17H2;(H,3,4)(H,5,6)