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

Systemtic Name: methyl 4-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)but-3-ynoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-4-(2-methoxyphenyl)-2-(trifluoromethyl)but-3-ynoate CAS Name: 4-(2-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(trifluoromethyl)-3-butynoic acid methyl ester IUPAC Name: methyl 4-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)but-3-ynoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(2-methoxyphenyl)-2-(trifluoromethyl)but-3-ynoic acid methyl ester Formula: C18H20F3NO5 MolecularWeight: 387.35031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C#CC1=CC=CC=C1OC)(C(=O)OC)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(C#CC1=CC=CC=C1OC)(C(=O)OC)C(F)(F)F

InChI

InChI=1S/C18H20F3NO5/c1-16(2,3)27-15(24)22-17(14(23)26-5,18(19,20)21)11-10-12-8-6-7-9-13(12)25-4/h6-9H,1-5H3,(H,22,24)