3-[1-(4-fluorophenyl)-3-(isoquinolin-3-ylcarbonylamino)-5-methoxy-2-oxidanylidene-indol-3-yl]propanoate

Systemtic Name: 3-[1-(4-fluorophenyl)-3-(isoquinolin-3-ylcarbonylamino)-5-methoxy-2-oxidanylidene-indol-3-yl]propanoate Openeye Name: 3-[1-(4-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-5-methoxy-2-oxo-indolin-3-yl]propanoate CAS Name: 3-[1-(4-fluorophenyl)-3-[[3-isoquinolinyl(oxo)methyl]amino]-5-methoxy-2-oxo-3-indolyl]propanoate IUPAC Name: 3-[1-(4-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-5-methoxy-2-oxoindol-3-yl]propanoate Traditional Name: 3-[1-(4-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-2-keto-5-methoxy-indolin-3-yl]propionate Formula: C28H21FN3O5- MolecularWeight: 498.481843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)C2(CCC(=O)[O-])NC(=O)C3=CC4=CC=CC=C4C=N3)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)C2(CCC(=O)[O-])NC(=O)C3=CC4=CC=CC=C4C=N3)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H22FN3O5/c1-37-21-10-11-24-22(15-21)28(13-12-25(33)34,27(36)32(24)20-8-6-19(29)7-9-20)31-26(35)23-14-17-4-2-3-5-18(17)16-30-23/h2-11,14-16H,12-13H2,1H3,(H,31,35)(H,33,34)/p-1