methyl 2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[1-[(5-fluoro-2-methyl-phenyl)methyl]aziridine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[(5-fluoro-2-methylphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-[(5-fluoro-2-methylphenyl)methyl]aziridine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-(5-fluoro-2-methyl-benzyl)ethylenimine-2-carbonyl]amino]-3-phenyl-propionic acid methyl 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(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

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