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

Systemtic Name: methyl 4-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)but-3-ynoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-4-(o-tolyl)-2-(trifluoromethyl)but-3-ynoate CAS Name: 4-(2-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(trifluoromethyl)-3-butynoic acid methyl ester IUPAC Name: methyl 4-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)but-3-ynoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(o-tolyl)-2-(trifluoromethyl)but-3-ynoic acid methyl ester Formula: C18H20F3NO4 MolecularWeight: 371.35091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CC(C(=O)OC)(C(F)(F)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C#CC(C(=O)OC)(C(F)(F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H20F3NO4/c1-12-8-6-7-9-13(12)10-11-17(14(23)25-5,18(19,20)21)22-15(24)26-16(2,3)4/h6-9H,1-5H3,(H,22,24)