(E)-but-2-enedioic acid; [1-[1-(dimethylamino)propan-2-yl]-2-phenyl-cyclohexyl] propanoate

Systemtic Name: (E)-but-2-enedioic acid; [1-[1-(dimethylamino)propan-2-yl]-2-phenyl-cyclohexyl] propanoate Openeye Name: [1-[2-(dimethylamino)-1-methyl-ethyl]-2-phenyl-cyclohexyl] propanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; propanoic acid [1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexyl] ester IUPAC Name: (E)-but-2-enedioic acid; [1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexyl] propanoate Traditional Name: fumaric acid; propionic acid [1-[2-(dimethylamino)-1-methyl-ethyl]-2-phenyl-cyclohexyl] ester Formula: C24H35NO6 MolecularWeight: 433.5378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCCCC1C2=CC=CC=C2)C(C)CN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)OC1(CCCCC1C2=CC=CC=C2)C(C)CN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H31NO2.C4H4O4/c1-5-19(22)23-20(16(2)15-21(3)4)14-10-9-13-18(20)17-11-7-6-8-12-17;5-3(6)1-2-4(7)8/h6-8,11-12,16,18H,5,9-10,13-15H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+