(phenylmethyl) 2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]propanoate Openeye Name: benzyl 2-[[1-[(5-fluoro-2-methyl-phenyl)methyl]aziridine-2-carbonyl]amino]propanoate CAS Name: 2-[[[1-[(5-fluoro-2-methylphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-[(5-fluoro-2-methylphenyl)methyl]aziridine-2-carbonyl]amino]propanoate Traditional Name: 2-[[1-(5-fluoro-2-methyl-benzyl)ethylenimine-2-carbonyl]amino]propionic acid benzyl ester Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NC(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NC(C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23FN2O3/c1-14-8-9-18(22)10-17(14)11-24-12-19(24)20(25)23-15(2)21(26)27-13-16-6-4-3-5-7-16/h3-10,15,19H,11-13H2,1-2H3,(H,23,25)