sodium 3-[1-(2-fluorophenyl)-3-(isoquinolin-3-ylcarbonylamino)-6-methoxy-2-oxidanylidene-indol-3-yl]propanoate

Systemtic Name: sodium 3-[1-(2-fluorophenyl)-3-(isoquinolin-3-ylcarbonylamino)-6-methoxy-2-oxidanylidene-indol-3-yl]propanoate Openeye Name: sodium 3-[1-(2-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-6-methoxy-2-oxo-indolin-3-yl]propanoate CAS Name: sodium 3-[1-(2-fluorophenyl)-3-[[3-isoquinolinyl(oxo)methyl]amino]-6-methoxy-2-oxo-3-indolyl]propanoate IUPAC Name: sodium 3-[1-(2-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-6-methoxy-2-oxoindol-3-yl]propanoate Traditional Name: sodium 3-[1-(2-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-2-keto-6-methoxy-indolin-3-yl]propionate Formula: C28H21FN3NaO5 MolecularWeight: 521.471613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=O)N2C3=CC=CC=C3F)(CCC(=O)[O-])NC(=O)C4=CC5=CC=CC=C5C=N4.[Na+]

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(=O)N2C3=CC=CC=C3F)(CCC(=O)[O-])NC(=O)C4=CC5=CC=CC=C5C=N4.[Na+]

InChI

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