tert-butyl (1S,3aS,3bS,9aR,9bS,11aS)-1-[bis(4-fluorophenyl)methylcarbamoyl]-9a,11a-dimethyl-7-oxidanylidene-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate

Systemtic Name: tert-butyl (1S,3aS,3bS,9aR,9bS,11aS)-1-[bis(4-fluorophenyl)methylcarbamoyl]-9a,11a-dimethyl-7-oxidanylidene-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate Openeye Name: tert-butyl (1S,3aS,3bS,9aR,9bS,11aS)-1-[bis(4-fluorophenyl)methylcarbamoyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate CAS Name: (1S,3aS,3bS,9aR,9bS,11aS)-1-[[bis(4-fluorophenyl)methylamino]-oxomethyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,3aS,3bS,9aR,9bS,11aS)-1-[bis(4-fluorophenyl)methylcarbamoyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate Traditional Name: (1S,3aS,3bS,9aR,9bS,11aS)-1-[bis(4-fluorophenyl)methylcarbamoyl]-7-keto-9a,11a-dimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylic acid tert-butyl ester Formula: C37H44F2N2O4 MolecularWeight: 618.753066

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)NC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CN(C6=CC(=O)CCC36C)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CN(C6=CC(=O)CC[C@]36C)C(=O)OC(C)(C)C

InChI

InChI=1S/C37H44F2N2O4/c1-35(2,3)45-34(44)41-21-27-28-14-15-30(36(28,4)19-17-29(27)37(5)18-16-26(42)20-31(37)41)33(43)40-32(22-6-10-24(38)11-7-22)23-8-12-25(39)13-9-23/h6-13,20,27-30,32H,14-19,21H2,1-5H3,(H,40,43)/t27-,28-,29-,30+,36-,37+/m0/s1