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

Systemtic Name: 2-[6-[(4-cyanophenyl)methoxy]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: 2-[6-[(4-cyanophenyl)methoxy]-2-ethyl-chroman-3-yl]acetate CAS Name: 2-[6-[(4-cyanophenyl)methoxy]-2-ethyl-3,4-dihydro-2H-1-benzopyran-3-yl]acetate IUPAC Name: 2-[6-[(4-cyanophenyl)methoxy]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[6-(4-cyanobenzyl)oxy-2-ethyl-chroman-3-yl]acetate Formula: C21H20NO4- MolecularWeight: 350.3878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C#N)CC(=O)[O-]

Isomeric SMILES

CCC1C(CC2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C#N)CC(=O)[O-]

InChI

InChI=1S/C21H21NO4/c1-2-19-17(11-21(23)24)9-16-10-18(7-8-20(16)26-19)25-13-15-5-3-14(12-22)4-6-15/h3-8,10,17,19H,2,9,11,13H2,1H3,(H,23,24)/p-1