tert-butyl 2-[(4-methoxyphenyl)amino]-6-phenyl-2-(trifluoromethyl)hex-5-ynoate

Systemtic Name: tert-butyl 2-[(4-methoxyphenyl)amino]-6-phenyl-2-(trifluoromethyl)hex-5-ynoate Openeye Name: tert-butyl 2-(4-methoxyanilino)-6-phenyl-2-(trifluoromethyl)hex-5-ynoate CAS Name: 2-(4-methoxyanilino)-6-phenyl-2-(trifluoromethyl)-5-hexynoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methoxyanilino)-6-phenyl-2-(trifluoromethyl)hex-5-ynoate Traditional Name: 2-(p-anisidino)-6-phenyl-2-(trifluoromethyl)hex-5-ynoic acid tert-butyl ester Formula: C24H26F3NO3 MolecularWeight: 433.46335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC#CC1=CC=CC=C1)(C(F)(F)F)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC#CC1=CC=CC=C1)(C(F)(F)F)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C24H26F3NO3/c1-22(2,3)31-21(29)23(24(25,26)27,28-19-13-15-20(30-4)16-14-19)17-9-8-12-18-10-6-5-7-11-18/h5-7,10-11,13-16,28H,9,17H2,1-4H3