methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)hept-6-enoate

Systemtic Name: methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)hept-6-enoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-2-(trifluoromethyl)hept-6-enoate CAS Name: 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)-6-heptenoic acid methyl ester IUPAC Name: methyl 2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)hept-6-enoate Traditional Name: 2-(benzyloxycarbonylamino)-2-(trifluoromethyl)hept-6-enoic acid methyl ester Formula: C17H20F3NO4 MolecularWeight: 359.34021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3NO4/c1-3-4-8-11-16(14(22)24-2,17(18,19)20)21-15(23)25-12-13-9-6-5-7-10-13/h3,5-7,9-10H,1,4,8,11-12H2,2H3,(H,21,23)