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

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

CC(C(=O)O)C1(C2=C(C=C(C=C2)OC)N(C1=O)C3=CC=CC=C3F)NC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CC(C(=O)O)C1(C2=C(C=C(C=C2)OC)N(C1=O)C3=CC=CC=C3F)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C28H22FN3O5/c1-16(26(34)35)28(31-25(33)22-13-17-7-3-4-8-18(17)15-30-22)20-12-11-19(37-2)14-24(20)32(27(28)36)23-10-6-5-9-21(23)29/h3-16H,1-2H3,(H,31,33)(H,34,35)