diethyl 2-[[3-fluoranyl-4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[3-fluoranyl-4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[3-fluoro-4-(prop-2-ynylamino)benzoyl]amino]pentanedioate CAS Name: 2-[[[3-fluoro-4-(prop-2-ynylamino)phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-fluoro-4-(prop-2-ynylamino)benzoyl]amino]pentanedioate Traditional Name: 2-[[3-fluoro-4-(propargylamino)benzoyl]amino]glutaric acid diethyl ester Formula: C19H23FN2O5 MolecularWeight: 378.394723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC(=C(C=C1)NCC#C)F

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC(=C(C=C1)NCC#C)F

InChI

InChI=1S/C19H23FN2O5/c1-4-11-21-15-8-7-13(12-14(15)20)18(24)22-16(19(25)27-6-3)9-10-17(23)26-5-2/h1,7-8,12,16,21H,5-6,9-11H2,2-3H3,(H,22,24)