[(E)-[4-[(11R,13S,17S)-17-methoxy-13-methyl-3-oxidanylidene-17-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] N-[4-(trifluoromethyloxy)phenyl]carbamate

Systemtic Name: [(E)-[4-[(11R,13S,17S)-17-methoxy-13-methyl-3-oxidanylidene-17-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] N-[4-(trifluoromethyloxy)phenyl]carbamate Openeye Name: [(E)-[4-[(11R,13S,17S)-17-methoxy-13-methyl-3-oxo-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methyleneamino] N-[4-(trifluoromethoxy)phenyl]carbamate CAS Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid [(E)-[4-[(11R,13S,17S)-17-methoxy-13-methyl-3-oxo-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] ester IUPAC Name: [(E)-[4-[(11R,13S,17S)-17-methoxy-13-methyl-3-oxo-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] N-[4-(trifluoromethoxy)phenyl]carbamate Traditional Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid [(E)-[4-[(11R,13S,17S)-3-keto-17-methoxy-13-methyl-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]benzylidene]amino] ester Formula: C36H34F8N2O5 MolecularWeight: 726.652786

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C(C(F)(F)F)(F)F)OC)C5=CC=C(C=C5)C=NOC(=O)NC6=CC=C(C=C6)OC(F)(F)F

Isomeric SMILES

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@]2(C(C(F)(F)F)(F)F)OC)C5=CC=C(C=C5)/C=N/OC(=O)NC6=CC=C(C=C6)OC(F)(F)F

InChI

InChI=1S/C36H34F8N2O5/c1-32-18-28(21-5-3-20(4-6-21)19-45-51-31(48)46-23-8-11-25(12-9-23)50-36(42,43)44)30-26-14-10-24(47)17-22(26)7-13-27(30)29(32)15-16-33(32,49-2)34(37,38)35(39,40)41/h3-6,8-9,11-12,17,19,27-29H,7,10,13-16,18H2,1-2H3,(H,46,48)/b45-19+/t27?,28-,29?,32+,33+/m1/s1