methyl 3-[3-isoquinolin-6-yl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate

Systemtic Name: methyl 3-[3-isoquinolin-6-yl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate Openeye Name: methyl 3-[3-(6-isoquinolyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate CAS Name: 3-[3-(6-isoquinolinyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-isoquinolin-6-yl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate Traditional Name: 3-[3-(6-isoquinolyl)-4-[4-(trifluoromethyl)benzyl]oxy-phenyl]propionic acid methyl ester Formula: C27H22F3NO3 MolecularWeight: 465.46369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C27H22F3NO3/c1-33-26(32)11-5-18-4-10-25(34-17-19-2-8-23(9-3-19)27(28,29)30)24(14-18)21-6-7-22-16-31-13-12-20(22)15-21/h2-4,6-10,12-16H,5,11,17H2,1H3