methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-2-(trifluoromethyl)but-3-ynoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-2-(trifluoromethyl)but-3-ynoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-4-phenyl-2-(trifluoromethyl)but-3-ynoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenyl-2-(trifluoromethyl)-3-butynoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-2-(trifluoromethyl)but-3-ynoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-phenyl-2-(trifluoromethyl)but-3-ynoic acid methyl ester Formula: C17H18F3NO4 MolecularWeight: 357.32433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C#CC1=CC=CC=C1)(C(=O)OC)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(C#CC1=CC=CC=C1)(C(=O)OC)C(F)(F)F

InChI

InChI=1S/C17H18F3NO4/c1-15(2,3)25-14(23)21-16(13(22)24-4,17(18,19)20)11-10-12-8-6-5-7-9-12/h5-9H,1-4H3,(H,21,23)