[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-[(4-chloranylphenoxy)methyl]benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-[(4-chloranylphenoxy)methyl]benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-[(4-chlorophenoxy)methyl]benzoate CAS Name: 4-[(4-chlorophenoxy)methyl]benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-[(4-chlorophenoxy)methyl]benzoate Traditional Name: 4-[(4-chlorophenoxy)methyl]benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O5/c1-12(2)17(18(24)23-20(22)26)28-19(25)14-5-3-13(4-6-14)11-27-16-9-7-15(21)8-10-16/h3-10,12,17H,11H2,1-2H3,(H3,22,23,24,26)/t17-/m1/s1