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

Systemtic Name: [4-(7,8-diacetyloxy-9-chloranyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)phenyl] ethanoate Openeye Name: [4-(7,8-diacetoxy-3-allyl-9-chloro-1,2,4,5-tetrahydro-3-benzazepin-5-yl)phenyl] acetate CAS Name: acetic acid [4-(7,8-diacetyloxy-9-chloro-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)phenyl] ester IUPAC Name: [4-(7,8-diacetyloxy-9-chloro-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)phenyl] acetate Traditional Name: acetic acid [4-(7,8-diacetoxy-3-allyl-9-chloro-1,2,4,5-tetrahydro-3-benzazepin-5-yl)phenyl] ester Formula: C25H26ClNO6 MolecularWeight: 471.93004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2CN(CCC3=C(C(=C(C=C23)OC(=O)C)OC(=O)C)Cl)CC=C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2CN(CCC3=C(C(=C(C=C23)OC(=O)C)OC(=O)C)Cl)CC=C

InChI

InChI=1S/C25H26ClNO6/c1-5-11-27-12-10-20-21(13-23(32-16(3)29)25(24(20)26)33-17(4)30)22(14-27)18-6-8-19(9-7-18)31-15(2)28/h5-9,13,22H,1,10-12,14H2,2-4H3