[8-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isochromen-3-yl] N-methylcarbamate

Systemtic Name: [8-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isochromen-3-yl] N-methylcarbamate Openeye Name: [8-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-oxo-4-phenyl-isochromen-3-yl] N-methylcarbamate CAS Name: N-methylcarbamic acid [8-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-oxo-4-phenyl-2-benzopyran-3-yl] ester IUPAC Name: [8-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-oxo-4-phenylisochromen-3-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [8-[3,5-bis(trifluoromethyl)benzyl]-1-keto-4-phenyl-isochromen-3-yl] ester Formula: C26H17F6NO4 MolecularWeight: 521.407899

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=C(C2=C(C(=CC=C2)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O1)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)OC1=C(C2=C(C(=CC=C2)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O1)C4=CC=CC=C4

InChI

InChI=1S/C26H17F6NO4/c1-33-24(35)37-23-21(15-6-3-2-4-7-15)19-9-5-8-16(20(19)22(34)36-23)10-14-11-17(25(27,28)29)13-18(12-14)26(30,31)32/h2-9,11-13H,10H2,1H3,(H,33,35)