(E)-but-2-enedioic acid; 6,7,8-trimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 6,7,8-trimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline Openeye Name: fumaric acid; 6,7,8-trimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline CAS Name: (E)-2-butenedioic acid; 6,7,8-trimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (E)-but-2-enedioic acid; 6,7,8-trimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline Traditional Name: fumaric acid; 6,7,8-trimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline Formula: C18H25NO7 MolecularWeight: 367.3936

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=C(C=C2CCN1C)OC)OC)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1C2=C(C(=C(C=C2CCN1C)OC)OC)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H21NO3.C4H4O4/c1-9-12-10(6-7-15(9)2)8-11(16-3)13(17-4)14(12)18-5;5-3(6)1-2-4(7)8/h8-9H,6-7H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+