[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6/c1-4-6-9-24-13-8-7-12(10-14(13)23-5-2)16(21)25-11(3)15(20)19-17(18)22/h7-8,10-11H,4-6,9H2,1-3H3,(H3,18,19,20,22)/t11-/m0/s1