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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-3-15(2)23-20(24)14-27-22(25)21-18(13-26-16-9-5-4-6-10-16)17-11-7-8-12-19(17)28-21/h4-12,15H,3,13-14H2,1-2H3,(H,23,24)