[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H21N3O5/c1-9(2)13(15(22)19-16(17)23)24-12(20)8-18-14(21)11-6-4-10(3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H,18,21)(H3,17,19,22,23)