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

Systemtic Name: [4-(7,8-diacetyloxy-9-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)phenyl] ethanoate Openeye Name: [4-(7,8-diacetoxy-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)phenyl] acetate CAS Name: acetic acid [4-(7,8-diacetyloxy-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)phenyl] ester IUPAC Name: [4-(7,8-diacetyloxy-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)phenyl] acetate Traditional Name: acetic acid [4-(7,8-diacetoxy-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)phenyl] ester Formula: C22H22ClNO6 MolecularWeight: 431.86618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC(=O)C)OC(=O)C)Cl

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC(=O)C)OC(=O)C)Cl

InChI

InChI=1S/C22H22ClNO6/c1-12(25)28-16-6-4-15(5-7-16)19-11-24-9-8-17-18(19)10-20(29-13(2)26)22(21(17)23)30-14(3)27/h4-7,10,19,24H,8-9,11H2,1-3H3