[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

InChI

InChI=1S/C22H23NO5/c1-15(2)12-23-20(24)14-27-22(25)21-18(13-26-16-8-4-3-5-9-16)17-10-6-7-11-19(17)28-21/h3-11,15H,12-14H2,1-2H3,(H,23,24)