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

Systemtic Name: 3-[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]propanoate Openeye Name: 3-[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate CAS Name: 3-[[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]propanoate IUPAC Name: 3-[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate Traditional Name: 3-[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propionate Formula: C21H22FN2O5- MolecularWeight: 401.408183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)NCCC(=O)[O-])C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H23FN2O5/c1-28-17-11-14-8-10-24(21(27)23-9-7-19(25)26)20(16(14)12-18(17)29-2)13-3-5-15(22)6-4-13/h3-6,11-12,20H,7-10H2,1-2H3,(H,23,27)(H,25,26)/p-1/t20-/m1/s1