[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6/c1-13(2)18(20(25)24-22(23)27)30-21(26)19-16(12-28-14-8-4-3-5-9-14)15-10-6-7-11-17(15)29-19/h3-11,13,18H,12H2,1-2H3,(H3,23,24,25,27)