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

Systemtic Name: 5-(4-chloranylphenoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine; ethanedioic acid Openeye Name: 5-(4-chlorophenoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid CAS Name: 5-(4-chlorophenoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid IUPAC Name: 5-(4-chlorophenoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid Traditional Name: 5-(4-chlorophenoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine; oxalic acid Formula: C18H18ClNO5 MolecularWeight: 363.79222

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC=CC=C21)OC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CNCC(C2=CC=CC=C21)OC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16ClNO.C2H2O4/c17-13-5-7-14(8-6-13)19-16-11-18-10-9-12-3-1-2-4-15(12)16;3-1(4)2(5)6/h1-8,16,18H,9-11H2;(H,3,4)(H,5,6)