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

Systemtic Name: (E)-but-2-enedioic acid; [1-[1-(dimethylamino)propan-2-yl]-2-phenyl-cyclohexyl] ethanoate Openeye Name: [1-[2-(dimethylamino)-1-methyl-ethyl]-2-phenyl-cyclohexyl] acetate; fumaric acid CAS Name: acetic acid [1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexyl] ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; [1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexyl] acetate Traditional Name: acetic acid [1-[2-(dimethylamino)-1-methyl-ethyl]-2-phenyl-cyclohexyl] ester; fumaric acid Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)C1(CCCCC1C2=CC=CC=C2)OC(=O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN(C)C)C1(CCCCC1C2=CC=CC=C2)OC(=O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H29NO2.C4H4O4/c1-15(14-20(3)4)19(22-16(2)21)13-9-8-12-18(19)17-10-6-5-7-11-17;5-3(6)1-2-4(7)8/h5-7,10-11,15,18H,8-9,12-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+