(E)-but-2-enedioic acid; 7-methoxy-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 7-methoxy-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline Openeye Name: fumaric acid; 7-methoxy-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline CAS Name: (E)-2-butenedioic acid; 7-methoxy-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (E)-but-2-enedioic acid; 7-methoxy-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline Traditional Name: fumaric acid; 7-methoxy-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=C(C=C2)OC)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C(=C(C=C2)OC)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19NO.C4H4O4/c1-18-11-10-13-8-9-16(19-2)17(15(13)12-18)14-6-4-3-5-7-14;5-3(6)1-2-4(7)8/h3-9H,10-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+