[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(3-methylphenoxy)propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H22N2O5/c1-10(2)14(15(20)18-16(17)21)23-13(19)7-8-22-12-6-4-5-11(3)9-12/h4-6,9-10,14H,7-8H2,1-3H3,(H3,17,18,20,21)/t14-/m1/s1