(E)-but-2-enedioic acid; 2-methyl-4-phenyl-1,3,3a,4,7,7a-hexahydroisoindole

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-4-phenyl-1,3,3a,4,7,7a-hexahydroisoindole Openeye Name: fumaric acid; 2-methyl-4-phenyl-1,3,3a,4,7,7a-hexahydroisoindole CAS Name: (E)-2-butenedioic acid; 2-methyl-4-phenyl-1,3,3a,4,7,7a-hexahydroisoindole IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-4-phenyl-1,3,3a,4,7,7a-hexahydroisoindole Traditional Name: fumaric acid; 2-methyl-4-phenyl-1,3,3a,4,7,7a-hexahydroisoindole Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CC=CC(C2C1)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC2CC=CC(C2C1)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H19N.C4H4O4/c1-16-10-13-8-5-9-14(15(13)11-16)12-6-3-2-4-7-12;5-3(6)1-2-4(7)8/h2-7,9,13-15H,8,10-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+