methyl 6-azanyl-6-oxidanylidene-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)hexanoate

Systemtic Name: methyl 6-azanyl-6-oxidanylidene-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)hexanoate Openeye Name: methyl 6-amino-2-(benzyloxycarbonylamino)-6-oxo-2-(trifluoromethyl)hexanoate CAS Name: 6-amino-6-oxo-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)hexanoic acid methyl ester IUPAC Name: methyl 6-amino-6-oxo-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)hexanoate Traditional Name: 6-amino-2-(benzyloxycarbonylamino)-6-keto-2-(trifluoromethyl)hexanoic acid methyl ester Formula: C16H19F3N2O5 MolecularWeight: 376.32767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O5/c1-25-13(23)15(16(17,18)19,9-5-8-12(20)22)21-14(24)26-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,20,22)(H,21,24)