tert-butyl N-[[(4aS,8aR,10aR)-3-cyano-1,1,4a-trimethyl-2,6-bis(oxidanylidene)-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[(4aS,8aR,10aR)-3-cyano-1,1,4a-trimethyl-2,6-bis(oxidanylidene)-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate Openeye Name: tert-butyl N-[[(4aS,8aR,10aR)-3-cyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate CAS Name: N-[[(4aS,8aR,10aR)-3-cyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(4aS,8aR,10aR)-3-cyano-1,1,4a-trimethyl-2,6-dioxo-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamate Traditional Name: N-[[(4aS,8aR,10aR)-3-cyano-2,6-diketo-1,1,4a-trimethyl-8,9,10,10a-tetrahydro-7H-phenanthren-8a-yl]methyl]carbamic acid tert-butyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(CCC(=O)C=C3C2(C=C(C1=O)C#N)C)CNC(=O)OC(C)(C)C)C

Isomeric SMILES

C[C@]12C=C(C(=O)C([C@@H]1CC[C@@]3(C2=CC(=O)CC3)CNC(=O)OC(C)(C)C)(C)C)C#N

InChI

InChI=1S/C24H32N2O4/c1-21(2,3)30-20(29)26-14-24-9-7-16(27)11-18(24)23(6)12-15(13-25)19(28)22(4,5)17(23)8-10-24/h11-12,17H,7-10,14H2,1-6H3,(H,26,29)/t17-,23-,24+/m0/s1