methyl 4-(2-aminophenyl)-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)but-3-ynoate

Systemtic Name: methyl 4-(2-aminophenyl)-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)but-3-ynoate Openeye Name: methyl 4-(2-aminophenyl)-2-(benzyloxycarbonylamino)-2-(trifluoromethyl)but-3-ynoate CAS Name: 4-(2-aminophenyl)-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)-3-butynoic acid methyl ester IUPAC Name: methyl 4-(2-aminophenyl)-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)but-3-ynoate Traditional Name: 4-(2-aminophenyl)-2-(benzyloxycarbonylamino)-2-(trifluoromethyl)but-3-ynoic acid methyl ester Formula: C20H17F3N2O4 MolecularWeight: 406.35519

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#CC1=CC=CC=C1N)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(C#CC1=CC=CC=C1N)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

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