tert-butyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxidanylidene-10-phenyl-9-azaspiro[4.5]decane-9-carboxylate

Systemtic Name: tert-butyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxidanylidene-10-phenyl-9-azaspiro[4.5]decane-9-carboxylate Openeye Name: tert-butyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxo-10-phenyl-9-azaspiro[4.5]decane-9-carboxylate CAS Name: 2-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxo-10-phenyl-9-azaspiro[4.5]decane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxo-10-phenyl-9-azaspiro[4.5]decane-9-carboxylate Traditional Name: 4-keto-2-[2-methoxy-5-(trifluoromethyl)phenyl]-10-phenyl-9-azaspiro[4.5]decane-9-carboxylic acid tert-butyl ester Formula: C28H32F3NO4 MolecularWeight: 503.55319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC2(C1C3=CC=CC=C3)CC(CC2=O)C4=C(C=CC(=C4)C(F)(F)F)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC2(C1C3=CC=CC=C3)CC(CC2=O)C4=C(C=CC(=C4)C(F)(F)F)OC

InChI

InChI=1S/C28H32F3NO4/c1-26(2,3)36-25(34)32-14-8-13-27(24(32)18-9-6-5-7-10-18)17-19(15-23(27)33)21-16-20(28(29,30)31)11-12-22(21)35-4/h5-7,9-12,16,19,24H,8,13-15,17H2,1-4H3