[3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-(trifluoromethyl)benzoate

Systemtic Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-(trifluoromethyl)benzoate Openeye Name: [3-(3-methoxyphenyl)-4-isoquinolyl]methyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [3-(3-methoxyphenyl)-4-isoquinolinyl]methyl ester IUPAC Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [3-(3-methoxyphenyl)-4-isoquinolyl]methyl ester Formula: C25H18F3NO3 MolecularWeight: 437.41053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H18F3NO3/c1-31-20-7-4-6-17(13-20)23-22(21-8-3-2-5-18(21)14-29-23)15-32-24(30)16-9-11-19(12-10-16)25(26,27)28/h2-14H,15H2,1H3