[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C22H20N2O5/c1-15-16-8-3-5-10-18(16)29-21(15)22(26)28-14-20(25)24(13-7-12-23)17-9-4-6-11-19(17)27-2/h3-6,8-11H,7,13-14H2,1-2H3