[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C=C(C=C2)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C=C(C=C2)C)O

InChI

InChI=1S/C21H22N2O5/c1-3-27-17-8-6-16(7-9-17)23(12-4-11-22)20(25)14-28-21(26)18-10-5-15(2)13-19(18)24/h5-10,13,24H,3-4,12,14H2,1-2H3