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

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C22H18F3NO6 MolecularWeight: 449.37663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C22H18F3NO6/c23-22(24,25)17-12-20(28)32-18-11-15(8-9-16(17)18)31-19(27)7-4-10-26-21(29)30-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,26,29)