methyl 2-(phenylmethoxycarbonylamino)-5-pyridin-2-yl-2-(trifluoromethyl)pent-4-ynoate

Systemtic Name: methyl 2-(phenylmethoxycarbonylamino)-5-pyridin-2-yl-2-(trifluoromethyl)pent-4-ynoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-5-(2-pyridyl)-2-(trifluoromethyl)pent-4-ynoate CAS Name: 2-(phenylmethoxycarbonylamino)-5-(2-pyridinyl)-2-(trifluoromethyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 2-(phenylmethoxycarbonylamino)-5-pyridin-2-yl-2-(trifluoromethyl)pent-4-ynoate Traditional Name: 2-(benzyloxycarbonylamino)-5-(2-pyridyl)-2-(trifluoromethyl)pent-4-ynoic acid methyl ester Formula: C20H17F3N2O4 MolecularWeight: 406.35519

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CC1=CC=CC=N1)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC#CC1=CC=CC=N1)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H17F3N2O4/c1-28-17(26)19(20(21,22)23,12-7-11-16-10-5-6-13-24-16)25-18(27)29-14-15-8-3-2-4-9-15/h2-6,8-10,13H,12,14H2,1H3,(H,25,27)