[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C18H25ClN2O6 MolecularWeight: 400.8539

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C(C)C)C(=O)NC(=O)N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C(C)C)C(=O)NC(=O)N)OCC

InChI

InChI=1S/C18H25ClN2O6/c1-5-7-26-15-12(19)8-11(9-13(15)25-6-2)17(23)27-14(10(3)4)16(22)21-18(20)24/h8-10,14H,5-7H2,1-4H3,(H3,20,21,22,24)