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

Systemtic Name: 6-[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]hexanoate Openeye Name: 6-[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]hexanoate CAS Name: 6-[[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]hexanoate IUPAC Name: 6-[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]hexanoate Traditional Name: 6-[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]hexanoate Formula: C24H28FN2O5- MolecularWeight: 443.487923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN2O5/c1-31-20-14-17-11-13-27(24(30)26-12-5-3-4-6-22(28)29)23(19(17)15-21(20)32-2)16-7-9-18(25)10-8-16/h7-10,14-15,23H,3-6,11-13H2,1-2H3,(H,26,30)(H,28,29)/p-1/t23-/m1/s1