ethanedioic acid; 3-ethyl-5-(4-fluoranylphenoxy)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: ethanedioic acid; 3-ethyl-5-(4-fluoranylphenoxy)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-ethyl-5-(4-fluorophenoxy)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid CAS Name: 3-ethyl-5-(4-fluorophenoxy)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid IUPAC Name: 3-ethyl-5-(4-fluorophenoxy)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Traditional Name: 3-ethyl-5-(4-fluorophenoxy)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Formula: C22H26FNO7 MolecularWeight: 435.442743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO3.C2H2O4/c1-4-22-10-9-14-11-18(23-2)19(24-3)12-17(14)20(13-22)25-16-7-5-15(21)6-8-16;3-1(4)2(5)6/h5-8,11-12,20H,4,9-10,13H2,1-3H3;(H,3,4)(H,5,6)