[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=C(C2=C(O1)C3=CC=CC=C3C=C2)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=C(C2=C(O1)C3=CC=CC=C3C=C2)C

InChI

InChI=1S/C21H22N2O5/c1-3-4-11-22-21(26)23-17(24)12-27-20(25)18-13(2)15-10-9-14-7-5-6-8-16(14)19(15)28-18/h5-10H,3-4,11-12H2,1-2H3,(H2,22,23,24,26)