methyl 2-[[2-fluoranyl-4-(prop-2-ynylamino)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[2-fluoranyl-4-(prop-2-ynylamino)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-fluoro-4-(prop-2-ynylamino)benzoyl]amino]-3-methyl-butanoate CAS Name: 2-[[[2-fluoro-4-(prop-2-ynylamino)phenyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-fluoro-4-(prop-2-ynylamino)benzoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-fluoro-4-(propargylamino)benzoyl]amino]-3-methyl-butyric acid methyl ester Formula: C16H19FN2O3 MolecularWeight: 306.332063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC#C)F

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC#C)F

InChI

InChI=1S/C16H19FN2O3/c1-5-8-18-11-6-7-12(13(17)9-11)15(20)19-14(10(2)3)16(21)22-4/h1,6-7,9-10,14,18H,8H2,2-4H3,(H,19,20)