(E)-but-2-enedioic acid; 5-(4-chloranylphenoxy)-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: (E)-but-2-enedioic acid; 5-(4-chloranylphenoxy)-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 5-(4-chlorophenoxy)-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-(4-chlorophenoxy)-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: (E)-but-2-enedioic acid; 5-(4-chlorophenoxy)-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 5-(4-chlorophenoxy)-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine; fumaric acid Formula: C23H26ClNO7 MolecularWeight: 463.90804

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)OC3=CC=C(C=C3)Cl)OC)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)OC3=CC=C(C=C3)Cl)OC)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22ClNO3.C4H4O4/c1-21-9-8-13-10-17(22-2)18(23-3)11-16(13)19(12-21)24-15-6-4-14(20)5-7-15;5-3(6)1-2-4(7)8/h4-7,10-11,19H,8-9,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+