2-[3-fluoranyl-2-oxidanylidene-3-(2-phenylazanylethanoylamino)azetidin-1-yl]-3-methyl-but-2-enoic acid

Systemtic Name: 2-[3-fluoranyl-2-oxidanylidene-3-(2-phenylazanylethanoylamino)azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-[3-[(2-anilinoacetyl)amino]-3-fluoro-2-oxo-azetidin-1-yl]-3-methyl-but-2-enoic acid CAS Name: 2-[3-[(2-anilino-1-oxoethyl)amino]-3-fluoro-2-oxo-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[3-[(2-anilinoacetyl)amino]-3-fluoro-2-oxoazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[3-[(2-anilinoacetyl)amino]-3-fluoro-2-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C16H18FN3O4 MolecularWeight: 335.330223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1CC(C1=O)(NC(=O)CNC2=CC=CC=C2)F)C

Isomeric SMILES

CC(=C(C(=O)O)N1CC(C1=O)(NC(=O)CNC2=CC=CC=C2)F)C

InChI

InChI=1S/C16H18FN3O4/c1-10(2)13(14(22)23)20-9-16(17,15(20)24)19-12(21)8-18-11-6-4-3-5-7-11/h3-7,18H,8-9H2,1-2H3,(H,19,21)(H,22,23)