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

Systemtic Name: ethyl 2-[3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoate Openeye Name: ethyl 2-(3-benzylchroman-7-yl)-4-(trifluoromethyl)benzoate CAS Name: 2-[3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-4-(trifluoromethyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-3,4-dihydro-2H-chromen-7-yl)-4-(trifluoromethyl)benzoate Traditional Name: 2-(3-benzylchroman-7-yl)-4-(trifluoromethyl)benzoic acid ethyl ester Formula: C26H23F3O3 MolecularWeight: 440.45423

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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(CC(CO3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C26H23F3O3/c1-2-31-25(30)22-11-10-21(26(27,28)29)15-23(22)19-8-9-20-13-18(16-32-24(20)14-19)12-17-6-4-3-5-7-17/h3-11,14-15,18H,2,12-13,16H2,1H3