ethyl 2-acetamido-5-[(3E)-5-fluoranyl-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]pent-4-ynoate

Systemtic Name: ethyl 2-acetamido-5-[(3E)-5-fluoranyl-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]pent-4-ynoate Openeye Name: ethyl 2-acetamido-5-[(3E)-5-fluoro-3-[(5-methyl-1H-imidazol-4-yl)methylene]-2-oxo-indolin-4-yl]pent-4-ynoate CAS Name: 2-acetamido-5-[(3E)-5-fluoro-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-4-yl]-4-pentynoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-5-[(3E)-5-fluoro-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-4-yl]pent-4-ynoate Traditional Name: 2-acetamido-5-[(3E)-5-fluoro-2-keto-3-[(5-methyl-1H-imidazol-4-yl)methylene]indolin-4-yl]pent-4-ynoic acid ethyl ester Formula: C22H21FN4O4 MolecularWeight: 424.424943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#CC1=C(C=CC2=C1C(=CC3=C(NC=N3)C)C(=O)N2)F)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC#CC1=C(C=CC2=C1/C(=C\C3=C(NC=N3)C)/C(=O)N2)F)NC(=O)C

InChI

InChI=1S/C22H21FN4O4/c1-4-31-22(30)18(26-13(3)28)7-5-6-14-16(23)8-9-17-20(14)15(21(29)27-17)10-19-12(2)24-11-25-19/h8-11,18H,4,7H2,1-3H3,(H,24,25)(H,26,28)(H,27,29)/b15-10+