7,8-dimethoxy-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine; ethanedioic acid

Systemtic Name: 7,8-dimethoxy-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine; ethanedioic acid Openeye Name: 7,8-dimethoxy-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid CAS Name: 7,8-dimethoxy-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid IUPAC Name: 7,8-dimethoxy-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Traditional Name: 7,8-dimethoxy-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3.C2H2O4/c1-20-10-9-14-11-17(21-2)18(22-3)12-16(14)19(13-20)23-15-7-5-4-6-8-15;3-1(4)2(5)6/h4-8,11-12,19H,9-10,13H2,1-3H3;(H,3,4)(H,5,6)