methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)but-3-ynoate

Systemtic Name: methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)but-3-ynoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-2-(trifluoromethyl)but-3-ynoate CAS Name: 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)-3-butynoic acid methyl ester IUPAC Name: methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)but-3-ynoate Traditional Name: 2-(benzyloxycarbonylamino)-2-(trifluoromethyl)but-3-ynoic acid methyl ester Formula: C14H12F3NO4 MolecularWeight: 315.24459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F3NO4/c1-3-13(11(19)21-2,14(15,16)17)18-12(20)22-9-10-7-5-4-6-8-10/h1,4-8H,9H2,2H3,(H,18,20)