(8-acetyloxy-9-chloranyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) ethanoate chloride

Systemtic Name: (8-acetyloxy-9-chloranyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) ethanoate chloride Openeye Name: (8-acetoxy-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) acetate chloride CAS Name: acetic acid (8-acetyloxy-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) ester chloride IUPAC Name: (8-acetyloxy-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) acetate chloride Traditional Name: acetic acid (8-acetoxy-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) ester chloride Formula: C20H20Cl2NO4- MolecularWeight: 409.2831

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C2CCNCC(C2=C1)C3=CC=CC=C3)Cl)OC(=O)C.[Cl-]

Isomeric SMILES

CC(=O)OC1=C(C(=C2CCNCC(C2=C1)C3=CC=CC=C3)Cl)OC(=O)C.[Cl-]

InChI

InChI=1S/C20H20ClNO4.ClH/c1-12(23)25-18-10-16-15(19(21)20(18)26-13(2)24)8-9-22-11-17(16)14-6-4-3-5-7-14;/h3-7,10,17,22H,8-9,11H2,1-2H3;1H/p-1