3-[(1E)-1-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propyl 2-azanyl-3-(1H-indol-3-yl)propanoate

Systemtic Name: 3-[(1E)-1-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propyl 2-azanyl-3-(1H-indol-3-yl)propanoate Openeye Name: 3-[(1E)-1-(5-fluoro-2-oxo-indolin-3-ylidene)-3H-isobenzofuran-5-yl]propyl 2-amino-3-(1H-indol-3-yl)propanoate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid 3-[(1E)-1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-isobenzofuran-5-yl]propyl ester IUPAC Name: 3-[(1E)-1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propyl 2-amino-3-(1H-indol-3-yl)propanoate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid 3-[(1E)-1-(5-fluoro-2-keto-indolin-3-ylidene)phthalan-5-yl]propyl ester Formula: C30H26FN3O4 MolecularWeight: 511.543543

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)CCCOC(=O)C(CC3=CNC4=CC=CC=C43)N)C(=C5C6=C(C=CC(=C6)F)NC5=O)O1

Isomeric SMILES

C1C2=C(C=CC(=C2)CCCOC(=O)C(CC3=CNC4=CC=CC=C43)N)/C(=C\5/C6=C(C=CC(=C6)F)NC5=O)/O1

InChI

InChI=1S/C30H26FN3O4/c31-20-8-10-26-23(14-20)27(29(35)34-26)28-22-9-7-17(12-19(22)16-38-28)4-3-11-37-30(36)24(32)13-18-15-33-25-6-2-1-5-21(18)25/h1-2,5-10,12,14-15,24,33H,3-4,11,13,16,32H2,(H,34,35)/b28-27+