[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [4-(difluoromethoxy)-3-methoxyphenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [4-(difluoromethoxy)-3-methoxy-benzyl] ester Formula: C19H15F2NO5 MolecularWeight: 375.322906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)COC(=O)C2=CC3=CC=CC=C3C(=O)N2)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)COC(=O)C2=CC3=CC=CC=C3C(=O)N2)OC(F)F

InChI

InChI=1S/C19H15F2NO5/c1-25-16-8-11(6-7-15(16)27-19(20)21)10-26-18(24)14-9-12-4-2-3-5-13(12)17(23)22-14/h2-9,19H,10H2,1H3,(H,22,23)