methyl 2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]pent-4-ynoate

Systemtic Name: methyl 2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]pent-4-ynoate Openeye Name: methyl 2-[[1-[(5-fluoro-2-methyl-phenyl)methyl]aziridine-2-carbonyl]amino]pent-4-ynoate CAS Name: 2-[[[1-[(5-fluoro-2-methylphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[1-[(5-fluoro-2-methylphenyl)methyl]aziridine-2-carbonyl]amino]pent-4-ynoate Traditional Name: 2-[[1-(5-fluoro-2-methyl-benzyl)ethylenimine-2-carbonyl]amino]pent-4-ynoic acid methyl ester Formula: C17H19FN2O3 MolecularWeight: 318.342763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN2O3/c1-4-5-14(17(22)23-3)19-16(21)15-10-20(15)9-12-8-13(18)7-6-11(12)2/h1,6-8,14-15H,5,9-10H2,2-3H3,(H,19,21)