(9-bromanyl-11-fluoranyl-10,13-dimethyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate

Systemtic Name: (9-bromanyl-11-fluoranyl-10,13-dimethyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate Openeye Name: (9-bromo-11-fluoro-10,13-dimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate CAS Name: propanoic acid (9-bromo-11-fluoro-10,13-dimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) ester IUPAC Name: (9-bromo-11-fluoro-10,13-dimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate Traditional Name: propionic acid (9-bromo-11-fluoro-3-keto-10,13-dimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) ester Formula: C22H28BrFO3 MolecularWeight: 439.358323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Br)F)C

Isomeric SMILES

CCC(=O)OC1CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Br)F)C

InChI

InChI=1S/C22H28BrFO3/c1-4-19(26)27-18-8-7-15-16-6-5-13-11-14(25)9-10-21(13,3)22(16,23)17(24)12-20(15,18)2/h9-11,15-18H,4-8,12H2,1-3H3