methyl 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H18F3NO4 MolecularWeight: 453.40993

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2CN1C3=CC=CC=C3C(F)(F)F)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2CN1C3=CC=CC=C3C(F)(F)F)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H18F3NO4/c1-31-24(30)23-22(15-10-11-20-21(12-15)33-14-32-20)17-7-3-2-6-16(17)13-29(23)19-9-5-4-8-18(19)25(26,27)28/h2-12H,13-14H2,1H3