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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C(C)C)C(=O)NC(=O)N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)O[C@H](C(C)C)C(=O)NC(=O)N)OCC

InChI

InChI=1S/C19H28N2O6/c1-5-7-10-26-14-9-8-13(11-15(14)25-6-2)18(23)27-16(12(3)4)17(22)21-19(20)24/h8-9,11-12,16H,5-7,10H2,1-4H3,(H3,20,21,22,24)/t16-/m1/s1