[(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-ethylcarbamate

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-ethylcarbamate 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-ethylcarbamate CAS Name: N-ethylcarbamic 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-ethylcarbamate Traditional Name: N-ethylcarbamic 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: C31H35F5N2O4 MolecularWeight: 594.612616

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)ON=CC1=CC=C(C=C1)C2CC3(C(CCC3(C(C(F)(F)F)(F)F)OC)C4C2=C5CCC(=O)C=C5CC4)C

Isomeric SMILES

CCNC(=O)O/N=C/C1=CC=C(C=C1)[C@H]2C[C@]3(C(CC[C@]3(C(C(F)(F)F)(F)F)OC)C4C2=C5CCC(=O)C=C5CC4)C

InChI

InChI=1S/C31H35F5N2O4/c1-4-37-27(40)42-38-17-18-5-7-19(8-6-18)24-16-28(2)25(13-14-29(28,41-3)30(32,33)31(34,35)36)23-11-9-20-15-21(39)10-12-22(20)26(23)24/h5-8,15,17,23-25H,4,9-14,16H2,1-3H3,(H,37,40)/b38-17+/t23?,24-,25?,28+,29+/m1/s1