[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] chromane-3-carboxylate CAS Name: 3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: chroman-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=CC=CC=C21)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1C(COC2=CC=CC=C21)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c22-11-6-12-23(18-8-2-1-3-9-18)20(24)15-27-21(25)17-13-16-7-4-5-10-19(16)26-14-17/h1-5,7-10,17H,6,12-15H2