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

Systemtic Name: (E)-but-2-enedioic acid; 3-ethyl-7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-ethyl-7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-ethyl-7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: (E)-but-2-enedioic acid; 3-ethyl-7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-ethyl-7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine; fumaric acid Formula: C24H29NO7 MolecularWeight: 443.48956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=CC(=C(C=C2C(C1)OC3=CC=CC=C3)OC)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCC2=CC(=C(C=C2C(C1)OC3=CC=CC=C3)OC)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25NO3.C4H4O4/c1-4-21-11-10-15-12-18(22-2)19(23-3)13-17(15)20(14-21)24-16-8-6-5-7-9-16;5-3(6)1-2-4(7)8/h5-9,12-13,20H,4,10-11,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+