[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(1-methylhexylamino)-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-(heptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-keto-2-(1-methylhexylamino)ethyl] ester Formula: C20H27NO5 MolecularWeight: 361.43208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC

Isomeric SMILES

CCCCCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC

InChI

InChI=1S/C20H27NO5/c1-4-5-6-9-14(2)21-18(22)13-25-20(23)19-16(12-24-3)15-10-7-8-11-17(15)26-19/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,21,22)