(2R,4R)-1-[(3aS)-2,2-dimethyl-4,9b-dihydro-3aH-chromeno[4,3-d][1,3]oxazol-1-yl]-5-[4-[2-[5-(4-methoxypyridin-2-yl)-1,3-oxazol-2-yl]propan-2-yl]-2-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]-4-oxidanyl-2-(phenylmethyl)pentan-1-one

Systemtic Name: (2R,4R)-1-[(3aS)-2,2-dimethyl-4,9b-dihydro-3aH-chromeno[4,3-d][1,3]oxazol-1-yl]-5-[4-[2-[5-(4-methoxypyridin-2-yl)-1,3-oxazol-2-yl]propan-2-yl]-2-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]-4-oxidanyl-2-(phenylmethyl)pentan-1-one Openeye Name: (2R,4R)-1-[(3aS)-2,2-dimethyl-4,9b-dihydro-3aH-chromeno[4,3-d]oxazol-1-yl]-2-benzyl-4-hydroxy-5-[4-[1-[5-(4-methoxy-2-pyridyl)oxazol-2-yl]-1-methyl-ethyl]-2-(3,3,3-trifluoropropanoyl)piperazin-1-yl]pentan-1-one CAS Name: (2R,4R)-1-[(3aS)-2,2-dimethyl-4,9b-dihydro-3aH-[1]benzopyrano[4,3-d]oxazol-1-yl]-4-hydroxy-5-[4-[2-[5-(4-methoxy-2-pyridinyl)-2-oxazolyl]propan-2-yl]-2-(3,3,3-trifluoro-1-oxopropyl)-1-piperazinyl]-2-(phenylmethyl)-1-pentanone IUPAC Name: (2R,4R)-1-[(3aS)-2,2-dimethyl-4,9b-dihydro-3aH-chromeno[4,3-d][1,3]oxazol-1-yl]-2-benzyl-4-hydroxy-5-[4-[2-[5-(4-methoxypyridin-2-yl)-1,3-oxazol-2-yl]propan-2-yl]-2-(3,3,3-trifluoropropanoyl)piperazin-1-yl]pentan-1-one Traditional Name: (2R,4R)-1-[(3aS)-2,2-dimethyl-4,9b-dihydro-3aH-chromeno[4,3-d]oxazol-1-yl]-2-benzyl-4-hydroxy-5-[4-[1-[5-(4-methoxy-2-pyridyl)oxazol-2-yl]-1-methyl-ethyl]-2-(3,3,3-trifluoropropanoyl)piperazino]pentan-1-one Formula: C43H50F3N5O7 MolecularWeight: 805.88161

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C2C(O1)COC3=CC=CC=C23)C(=O)C(CC4=CC=CC=C4)CC(CN5CCN(CC5C(=O)CC(F)(F)F)C(C)(C)C6=NC=C(O6)C7=NC=CC(=C7)OC)O)C

Isomeric SMILES

CC1(N(C2[C@H](O1)COC3=CC=CC=C23)C(=O)[C@H](CC4=CC=CC=C4)C[C@H](CN5CCN(CC5C(=O)CC(F)(F)F)C(C)(C)C6=NC=C(O6)C7=NC=CC(=C7)OC)O)C

InChI

InChI=1S/C43H50F3N5O7/c1-41(2,40-48-23-36(57-40)32-21-30(55-5)15-16-47-32)50-18-17-49(33(25-50)34(53)22-43(44,45)46)24-29(52)20-28(19-27-11-7-6-8-12-27)39(54)51-38-31-13-9-10-14-35(31)56-26-37(38)58-42(51,3)4/h6-16,21,23,28-29,33,37-38,52H,17-20,22,24-26H2,1-5H3/t28-,29-,33?,37-,38?/m1/s1