(E)-but-2-enedioic acid; 1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol Openeye Name: 1-(cyclohexylmethoxy)-3-(isopropylamino)propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(cyclohexylmethoxy)-3-(propan-2-ylamino)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol Traditional Name: 1-(cyclohexylmethoxy)-3-(isopropylamino)propan-2-ol; fumaric acid Formula: C17H31NO6 MolecularWeight: 345.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COCC1CCCCC1)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COCC1CCCCC1)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H27NO2.C4H4O4/c1-11(2)14-8-13(15)10-16-9-12-6-4-3-5-7-12;5-3(6)1-2-4(7)8/h11-15H,3-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+