[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-(benzyloxycarbonylamino)pentanoate CAS Name: 2-(phenylmethoxycarbonylamino)pentanoic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)valeric acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C23H20F3NO6 MolecularWeight: 463.40321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20F3NO6/c1-2-6-18(27-22(30)31-13-14-7-4-3-5-8-14)21(29)32-15-9-10-16-17(23(24,25)26)12-20(28)33-19(16)11-15/h3-5,7-12,18H,2,6,13H2,1H3,(H,27,30)