(E)-but-2-enedioic acid; N,N-diethyl-2-methyl-4,5,6,7-tetrahydroisoindol-5-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-diethyl-2-methyl-4,5,6,7-tetrahydroisoindol-5-amine Openeye Name: N,N-diethyl-2-methyl-4,5,6,7-tetrahydroisoindol-5-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-diethyl-2-methyl-4,5,6,7-tetrahydroisoindol-5-amine IUPAC Name: (E)-but-2-enedioic acid; N,N-diethyl-2-methyl-4,5,6,7-tetrahydroisoindol-5-amine Traditional Name: diethyl-(2-methyl-4,5,6,7-tetrahydroisoindol-5-yl)amine; fumaric acid Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCC2=CN(C=C2C1)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)C1CCC2=CN(C=C2C1)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H22N2.C4H4O4/c1-4-15(5-2)13-7-6-11-9-14(3)10-12(11)8-13;5-3(6)1-2-4(7)8/h9-10,13H,4-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+