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

Systemtic Name: methyl 3-[1-(4-fluorophenyl)-3-(isoquinolin-3-ylcarbonylamino)-5-methoxy-2-oxidanylidene-indol-3-yl]propanoate Openeye Name: methyl 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]propanoic acid methyl ester IUPAC Name: methyl 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]propionic acid methyl ester Formula: C29H24FN3O5 MolecularWeight: 513.516363

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H24FN3O5/c1-37-22-11-12-25-23(16-22)29(14-13-26(34)38-2,28(36)33(25)21-9-7-20(30)8-10-21)32-27(35)24-15-18-5-3-4-6-19(18)17-31-24/h3-12,15-17H,13-14H2,1-2H3,(H,32,35)