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

Systemtic Name: (E)-but-2-enedioic acid; 7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepin-3-amine Openeye Name: 7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepin-3-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepin-3-amine IUPAC Name: (E)-but-2-enedioic acid; 7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepin-3-amine Traditional Name: (7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)amine; fumaric acid Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(CN(CCC2=C1)N)OC3=CC=CC=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C2C(CN(CCC2=C1)N)OC3=CC=CC=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N2O3.C4H4O4/c1-21-16-10-13-8-9-20(19)12-18(15(13)11-17(16)22-2)23-14-6-4-3-5-7-14;5-3(6)1-2-4(7)8/h3-7,10-11,18H,8-9,12,19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+