methyl 3-[[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate CAS Name: 3-[[[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate Traditional Name: 3-[[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propionic acid methyl ester Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC(=O)OC)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC(=O)OC)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H25FN2O5/c1-28-18-12-15-9-11-25(22(27)24-10-8-20(26)30-3)21(17(15)13-19(18)29-2)14-4-6-16(23)7-5-14/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,27)