methyl 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate

Systemtic Name: methyl 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Openeye Name: methyl 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester Formula: C20H20FNO4 MolecularWeight: 357.375503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CN(CCC2=CC=C1)CC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

COC(=O)C1=C2CN(CCC2=CC=C1)CC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C20H20FNO4/c1-24-20(23)17-4-2-3-13-5-6-22(10-18(13)17)9-14-7-16(21)8-15-11-25-12-26-19(14)15/h2-4,7-8H,5-6,9-12H2,1H3