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

Systemtic Name: 5-(3-chloranylphenoxy)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine; ethanedioic acid Openeye Name: 5-(3-chlorophenoxy)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid CAS Name: 5-(3-chlorophenoxy)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid IUPAC Name: 5-(3-chlorophenoxy)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid Traditional Name: 5-(3-chlorophenoxy)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid Formula: C20H22ClNO7 MolecularWeight: 423.84418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(CNCCC2=C1)OC3=CC(=CC=C3)Cl)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C2C(CNCCC2=C1)OC3=CC(=CC=C3)Cl)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20ClNO3.C2H2O4/c1-21-16-8-12-6-7-20-11-18(15(12)10-17(16)22-2)23-14-5-3-4-13(19)9-14;3-1(4)2(5)6/h3-5,8-10,18,20H,6-7,11H2,1-2H3;(H,3,4)(H,5,6)