ethyl 2-[4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoate

Systemtic Name: ethyl 2-[4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoate Openeye Name: ethyl 2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-(trifluoromethyl)benzoate CAS Name: 2-[4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-4-(trifluoromethyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl)-4-(trifluoromethyl)benzoate Traditional Name: 2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-(trifluoromethyl)benzoic acid ethyl ester Formula: C26H23F3O4 MolecularWeight: 456.45363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(F)(F)F)C2=CC3=C(C=C2)C(C(CO3)CC4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(F)(F)F)C2=CC3=C(C=C2)C(C(CO3)CC4=CC=CC=C4)O

InChI

InChI=1S/C26H23F3O4/c1-2-32-25(31)20-11-9-19(26(27,28)29)14-22(20)17-8-10-21-23(13-17)33-15-18(24(21)30)12-16-6-4-3-5-7-16/h3-11,13-14,18,24,30H,2,12,15H2,1H3