[(1R,3aS,3bR,9aR,9bS,11aS)-5-chloranyl-1-ethanoyl-9a,11a-dimethyl-7-oxidanylidene-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] ethanoate

Systemtic Name: [(1R,3aS,3bR,9aR,9bS,11aS)-5-chloranyl-1-ethanoyl-9a,11a-dimethyl-7-oxidanylidene-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] ethanoate Openeye Name: [(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] acetate CAS Name: acetic acid [(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] ester IUPAC Name: [(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] acetate Traditional Name: acetic acid [(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-7-keto-9a,11a-dimethyl-3,3a,3b,8,9,9b,10,11-octahydro-2H-inden[4,5-h]isoquinolin-1-yl] ester Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)NCC34C)Cl)C)OC(=O)C

Isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)NC[C@]34C)Cl)C)OC(=O)C

InChI

InChI=1S/C22H28ClNO4/c1-12(25)22(28-13(2)26)8-6-16-14-9-18(23)17-10-19(27)24-11-20(17,3)15(14)5-7-21(16,22)4/h9-10,14-16H,5-8,11H2,1-4H3,(H,24,27)/t14-,15+,16+,20-,21+,22+/m1/s1