(E)-but-2-enedioic acid; N-ethyl-N-[(6-methoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N-ethyl-N-[(6-methoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine Openeye Name: N-ethyl-N-[(6-methoxyisochroman-1-yl)methyl]ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-ethyl-N-[(6-methoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]ethanamine IUPAC Name: (E)-but-2-enedioic acid; N-ethyl-N-[(6-methoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine Traditional Name: diethyl-[(6-methoxyisochroman-1-yl)methyl]amine; fumaric acid Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1C2=C(CCO1)C=C(C=C2)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CC1C2=C(CCO1)C=C(C=C2)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H23NO2.C4H4O4/c1-4-16(5-2)11-15-14-7-6-13(17-3)10-12(14)8-9-18-15;5-3(6)1-2-4(7)8/h6-7,10,15H,4-5,8-9,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+