(E)-but-2-enedioic acid; 3-[dimethylamino-(2-methyl-2-oxidanyl-cyclohexyl)methyl]phenol

Systemtic Name: (E)-but-2-enedioic acid; 3-[dimethylamino-(2-methyl-2-oxidanyl-cyclohexyl)methyl]phenol Openeye Name: 3-[dimethylamino-(2-hydroxy-2-methyl-cyclohexyl)methyl]phenol; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[dimethylamino-(2-hydroxy-2-methylcyclohexyl)methyl]phenol IUPAC Name: (E)-but-2-enedioic acid; 3-[dimethylamino-(2-hydroxy-2-methylcyclohexyl)methyl]phenol Traditional Name: 3-[dimethylamino-(2-hydroxy-2-methyl-cyclohexyl)methyl]phenol; fumaric acid Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1C(C2=CC(=CC=C2)O)N(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CCCCC1C(C2=CC(=CC=C2)O)N(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H25NO2.C4H4O4/c1-16(19)10-5-4-9-14(16)15(17(2)3)12-7-6-8-13(18)11-12;5-3(6)1-2-4(7)8/h6-8,11,14-15,18-19H,4-5,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+