methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-4-ynoate

Systemtic Name: methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-4-ynoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-2-(trifluoromethyl)pent-4-ynoate CAS Name: 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-4-ynoate Traditional Name: 2-(benzyloxycarbonylamino)-2-(trifluoromethyl)pent-4-ynoic acid methyl ester Formula: C15H14F3NO4 MolecularWeight: 329.27117

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CC#C)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H14F3NO4/c1-3-9-14(12(20)22-2,15(16,17)18)19-13(21)23-10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3,(H,19,21)