(E)-but-2-enedioic acid; 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: (E)-but-2-enedioic acid; 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: fumaric acid; 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: (E)-2-butenedioic acid; 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: (E)-but-2-enedioic acid; 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: fumaric acid; 8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(CNCC2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(CNCC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19NO.C4H4O4/c1-19-15-7-8-16-14(11-15)9-10-18-12-17(16)13-5-3-2-4-6-13;5-3(6)1-2-4(7)8/h2-8,11,17-18H,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+