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

Systemtic Name: 5-(3-chloranylphenoxy)-7,8-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine; ethanedioic acid Openeye Name: 5-(3-chlorophenoxy)-7,8-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid CAS Name: 5-(3-chlorophenoxy)-7,8-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid IUPAC Name: 5-(3-chlorophenoxy)-7,8-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid Traditional Name: 5-(3-chlorophenoxy)-7,8-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(CNCCC2=C1)OC3=CC(=CC=C3)Cl)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C2C(CNCCC2=C1)OC3=CC(=CC=C3)Cl)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20ClNO.C2H2O4/c1-12-8-14-6-7-20-11-18(17(14)9-13(12)2)21-16-5-3-4-15(19)10-16;3-1(4)2(5)6/h3-5,8-10,18,20H,6-7,11H2,1-2H3;(H,3,4)(H,5,6)