(E)-but-2-enedioic acid; 2-(9-ethoxy-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazin-4-yl)-N,N-dimethyl-ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(9-ethoxy-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazin-4-yl)-N,N-dimethyl-ethanamine Openeye Name: 2-(9-ethoxy-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazin-4-yl)-N,N-dimethyl-ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(9-ethoxy-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazin-4-yl)-N,N-dimethylethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(9-ethoxy-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazin-4-yl)-N,N-dimethylethanamine Traditional Name: 2-(9-ethoxy-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazin-4-yl)ethyl-dimethyl-amine; fumaric acid Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C3C(CCO2)N(CCO3)CCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)C3C(CCO2)N(CCO3)CCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H28N2O3.C4H4O4/c1-4-21-14-5-6-15-17(13-14)22-11-7-16-18(15)23-12-10-20(16)9-8-19(2)3;5-3(6)1-2-4(7)8/h5-6,13,16,18H,4,7-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+