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

Systemtic Name: (E)-but-2-enedioic acid; propyl (1S)-2-(dimethylaminomethyl)-1-phenyl-cyclopropane-1-carboxylate Openeye Name: fumaric acid; propyl (1S)-2-(dimethylaminomethyl)-1-phenyl-cyclopropanecarboxylate CAS Name: (E)-2-butenedioic acid; (1S)-2-(dimethylaminomethyl)-1-phenyl-1-cyclopropanecarboxylic acid propyl ester IUPAC Name: (E)-but-2-enedioic acid; propyl (1S)-2-(dimethylaminomethyl)-1-phenylcyclopropane-1-carboxylate Traditional Name: (1S)-2-(dimethylaminomethyl)-1-phenyl-cyclopropanecarboxylic acid propyl ester; fumaric acid Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1(CC1CN(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCOC(=O)[C@]1(CC1CN(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H23NO2.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/h5-9,14H,4,10-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t14?,16-;/m1./s1