(E)-but-2-enedioic acid; prop-2-enyl (1S)-2-(dimethylaminomethyl)-1-phenyl-cyclopropane-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; prop-2-enyl (1S)-2-(dimethylaminomethyl)-1-phenyl-cyclopropane-1-carboxylate Openeye Name: allyl (1S)-2-(dimethylaminomethyl)-1-phenyl-cyclopropanecarboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; (1S)-2-(dimethylaminomethyl)-1-phenyl-1-cyclopropanecarboxylic acid prop-2-enyl ester IUPAC Name: (E)-but-2-enedioic acid; prop-2-enyl (1S)-2-(dimethylaminomethyl)-1-phenylcyclopropane-1-carboxylate Traditional Name: (1S)-2-(dimethylaminomethyl)-1-phenyl-cyclopropanecarboxylic acid allyl ester; fumaric acid Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CC1(C2=CC=CC=C2)C(=O)OCC=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1C[C@]1(C2=CC=CC=C2)C(=O)OCC=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21NO2.C4H4O4/c1-4-10-19-15(18)16(11-14(16)12-17(2)3)13-8-6-5-7-9-13;5-3(6)1-2-4(7)8/h4-9,14H,1,10-12H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t14?,16-;/m1./s1