[4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H20F3NO7 MolecularWeight: 527.44541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4

InChI

InChI=1S/C27H20F3NO7/c28-27(29,30)25-24(37-18-9-5-2-6-10-18)23(33)20-12-11-19(15-21(20)38-25)36-22(32)13-14-31-26(34)35-16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2,(H,31,34)