2-[6-[(4-cyanophenyl)carbonylamino]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]ethanoate

Systemtic Name: 2-[6-[(4-cyanophenyl)carbonylamino]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: 2-[6-[(4-cyanobenzoyl)amino]-2-ethyl-chroman-3-yl]acetate CAS Name: 2-[6-[[(4-cyanophenyl)-oxomethyl]amino]-2-ethyl-3,4-dihydro-2H-1-benzopyran-3-yl]acetate IUPAC Name: 2-[6-[(4-cyanobenzoyl)amino]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[6-[(4-cyanobenzoyl)amino]-2-ethyl-chroman-3-yl]acetate Formula: C21H19N2O4- MolecularWeight: 363.38656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)CC(=O)[O-]

Isomeric SMILES

CCC1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)CC(=O)[O-]

InChI

InChI=1S/C21H20N2O4/c1-2-18-16(11-20(24)25)9-15-10-17(7-8-19(15)27-18)23-21(26)14-5-3-13(12-22)4-6-14/h3-8,10,16,18H,2,9,11H2,1H3,(H,23,26)(H,24,25)/p-1