(E)-but-2-enedioic acid; N-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]propan-2-amine Openeye Name: N-[(6,7-dimethoxyisochroman-1-yl)methyl]propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[(6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]propan-2-amine Traditional Name: (6,7-dimethoxyisochroman-1-yl)methyl-isopropyl-amine; fumaric acid Formula: C19H27NO7 MolecularWeight: 381.42018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1C2=CC(=C(C=C2CCO1)OC)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC1C2=CC(=C(C=C2CCO1)OC)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H23NO3.C4H4O4/c1-10(2)16-9-15-12-8-14(18-4)13(17-3)7-11(12)5-6-19-15;5-3(6)1-2-4(7)8/h7-8,10,15-16H,5-6,9H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+