3-[1-(4-fluorophenyl)-3-(isoquinolin-3-ylcarbonylamino)-6-methoxy-2-oxidanylidene-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-(4-fluorophenyl)-3-(isoquinolin-3-ylcarbonylamino)-6-methoxy-2-oxidanylidene-indol-3-yl]propanoic acid Openeye Name: 3-[1-(4-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-6-methoxy-2-oxo-indolin-3-yl]propanoic acid CAS Name: 3-[1-(4-fluorophenyl)-3-[[3-isoquinolinyl(oxo)methyl]amino]-6-methoxy-2-oxo-3-indolyl]propanoic acid IUPAC Name: 3-[1-(4-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-6-methoxy-2-oxoindol-3-yl]propanoic acid Traditional Name: 3-[1-(4-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-2-keto-6-methoxy-indolin-3-yl]propionic acid Formula: C28H22FN3O5 MolecularWeight: 499.489783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=O)N2C3=CC=C(C=C3)F)(CCC(=O)O)NC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(=O)N2C3=CC=C(C=C3)F)(CCC(=O)O)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C28H22FN3O5/c1-37-21-10-11-22-24(15-21)32(20-8-6-19(29)7-9-20)27(36)28(22,13-12-25(33)34)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)