(E)-but-2-enedioic acid; ethyl 2-(dimethylamino)-1-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 2-(dimethylamino)-1-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 2-(dimethylamino)-1-phenyl-cyclohex-3-ene-1-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(dimethylamino)-1-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate Traditional Name: 2-(dimethylamino)-1-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester; fumaric acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23NO2.C4H4O4/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;5-3(6)1-2-4(7)8/h5-8,10-12,15H,4,9,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+