5-(3-chloranylphenoxy)-3-phenethyl-1,2,4,5-tetrahydro-3-benzazepine; ethanedioic acid

Systemtic Name: 5-(3-chloranylphenoxy)-3-phenethyl-1,2,4,5-tetrahydro-3-benzazepine; ethanedioic acid Openeye Name: 5-(3-chlorophenoxy)-3-phenethyl-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid CAS Name: 5-(3-chlorophenoxy)-3-phenethyl-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid IUPAC Name: 5-(3-chlorophenoxy)-3-phenethyl-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Traditional Name: 5-(3-chlorophenoxy)-3-phenethyl-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Formula: C26H26ClNO5 MolecularWeight: 467.94134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C2=CC=CC=C21)OC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC(C2=CC=CC=C21)OC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H24ClNO.C2H2O4/c25-21-10-6-11-22(17-21)27-24-18-26(15-13-19-7-2-1-3-8-19)16-14-20-9-4-5-12-23(20)24;3-1(4)2(5)6/h1-12,17,24H,13-16,18H2;(H,3,4)(H,5,6)