[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 4-methyl-2-ureido-pentanoate CAS Name: 2-(carbamoylamino)-4-methylpentanoic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate Traditional Name: 4-methyl-2-ureido-valeric acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C16H22FN3O4 MolecularWeight: 339.361983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(CC(C)C)NC(=O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(CC(C)C)NC(=O)N)F

InChI

InChI=1S/C16H22FN3O4/c1-9(2)6-13(20-16(18)23)15(22)24-8-14(21)19-12-5-4-10(3)7-11(12)17/h4-5,7,9,13H,6,8H2,1-3H3,(H,19,21)(H3,18,20,23)