tert-butyl 10-phenyl-2-[2-pyrimidin-5-yl-5-(trifluoromethyloxy)phenyl]-4-oxa-9-azaspiro[4.5]decane-9-carboxylate

Systemtic Name: tert-butyl 10-phenyl-2-[2-pyrimidin-5-yl-5-(trifluoromethyloxy)phenyl]-4-oxa-9-azaspiro[4.5]decane-9-carboxylate Openeye Name: tert-butyl 10-phenyl-2-[2-pyrimidin-5-yl-5-(trifluoromethoxy)phenyl]-4-oxa-9-azaspiro[4.5]decane-9-carboxylate CAS Name: 10-phenyl-2-[2-(5-pyrimidinyl)-5-(trifluoromethoxy)phenyl]-4-oxa-9-azaspiro[4.5]decane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 10-phenyl-2-[2-pyrimidin-5-yl-5-(trifluoromethoxy)phenyl]-4-oxa-9-azaspiro[4.5]decane-9-carboxylate Traditional Name: 10-phenyl-2-[2-(5-pyrimidyl)-5-(trifluoromethoxy)phenyl]-4-oxa-9-azaspiro[4.5]decane-9-carboxylic acid tert-butyl ester Formula: C30H32F3N3O4 MolecularWeight: 555.58799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC2(C1C3=CC=CC=C3)CC(CO2)C4=C(C=CC(=C4)OC(F)(F)F)C5=CN=CN=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC2(C1C3=CC=CC=C3)CC(CO2)C4=C(C=CC(=C4)OC(F)(F)F)C5=CN=CN=C5

InChI

InChI=1S/C30H32F3N3O4/c1-28(2,3)40-27(37)36-13-7-12-29(26(36)20-8-5-4-6-9-20)15-21(18-38-29)25-14-23(39-30(31,32)33)10-11-24(25)22-16-34-19-35-17-22/h4-6,8-11,14,16-17,19,21,26H,7,12-13,15,18H2,1-3H3