methyl 2-[3-(4-fluoranylphenoxy)propanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[3-(4-fluoranylphenoxy)propanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[3-(4-fluorophenoxy)propanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[3-(4-fluorophenoxy)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-fluorophenoxy)propanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[3-(4-fluorophenoxy)propanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C20H20FNO4 MolecularWeight: 357.375503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)CCOC3=CC=C(C=C3)F)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)CCOC3=CC=C(C=C3)F)C=C1

InChI

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