[(17E)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] methanoate

Systemtic Name: [(17E)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] methanoate Openeye Name: [(17E)-17-(cyanomethylene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] formate CAS Name: formic acid [(17E)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(17E)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] formate Traditional Name: formic acid [(17E)-17-(cyanomethylene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=CC#N)CC=C4C3(CCC(C4)OC=O)C

Isomeric SMILES

CC1\2CCC3C(C1CC/C2=C\C#N)CC=C4C3(CCC(C4)OC=O)C

InChI

InChI=1S/C22H29NO2/c1-21-11-8-20-18(19(21)6-4-15(21)9-12-23)5-3-16-13-17(25-14-24)7-10-22(16,20)2/h3,9,14,17-20H,4-8,10-11,13H2,1-2H3/b15-9+