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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C25H18N2O5 MolecularWeight: 426.42082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C25H18N2O5/c26-14-17-8-4-6-12-21(17)27-23(28)16-31-25(29)24-20(15-30-18-9-2-1-3-10-18)19-11-5-7-13-22(19)32-24/h1-13H,15-16H2,(H,27,28)