ethyl (3S)-3-[2-[(2S,4aS,7R,8aR)-4,4,7-trimethyl-3-(phenylmethyl)-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]-2,2-bis(fluoranyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl (3S)-3-[2-[(2S,4aS,7R,8aR)-4,4,7-trimethyl-3-(phenylmethyl)-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]-2,2-bis(fluoranyl)-3-oxidanyl-propanoate Openeye Name: ethyl (3S)-3-[2-[(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]-2,2-difluoro-3-hydroxy-propanoate CAS Name: (3S)-3-[2-[(2S,4aS,7R,8aR)-4,4,7-trimethyl-3-(phenylmethyl)-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]-2,2-difluoro-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[2-[(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]-2,2-difluoro-3-hydroxypropanoate Traditional Name: (3S)-3-[2-[(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]-2,2-difluoro-3-hydroxy-propionic acid ethyl ester Formula: C29H37F2NO4 MolecularWeight: 501.605186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1C2N(C(C3CCC(CC3O2)C)(C)C)CC4=CC=CC=C4)O)(F)F

Isomeric SMILES

CCOC(=O)C([C@H](C1=CC=CC=C1[C@H]2N(C([C@@H]3CC[C@H](C[C@H]3O2)C)(C)C)CC4=CC=CC=C4)O)(F)F

InChI

InChI=1S/C29H37F2NO4/c1-5-35-27(34)29(30,31)25(33)21-13-9-10-14-22(21)26-32(18-20-11-7-6-8-12-20)28(3,4)23-16-15-19(2)17-24(23)36-26/h6-14,19,23-26,33H,5,15-18H2,1-4H3/t19-,23-,24-,25+,26+/m1/s1