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

Systemtic Name: (8-acetyloxy-9-chloranyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) ethanoate Openeye Name: (8-acetoxy-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) acetate CAS Name: acetic acid (8-acetyloxy-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) ester IUPAC Name: (8-acetyloxy-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) acetate Traditional Name: acetic acid (8-acetoxy-9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl) ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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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

Isomeric SMILES

CC(=O)OC1=C(C(=C2CCNCC(C2=C1)C3=CC=CC=C3)Cl)OC(=O)C

InChI

InChI=1S/C20H20ClNO4/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