(6-butyl-4-oxidanylidene-3-pyridin-2-yl-chromen-7-yl) ethanoate

Systemtic Name: (6-butyl-4-oxidanylidene-3-pyridin-2-yl-chromen-7-yl) ethanoate Openeye Name: [6-butyl-4-oxo-3-(2-pyridyl)chromen-7-yl] acetate CAS Name: acetic acid [6-butyl-4-oxo-3-(2-pyridinyl)-1-benzopyran-7-yl] ester IUPAC Name: (6-butyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate Traditional Name: acetic acid [6-butyl-4-keto-3-(2-pyridyl)chromen-7-yl] ester Formula: C20H19NO4 MolecularWeight: 337.36916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=CC=N3)OC(=O)C

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=CC=N3)OC(=O)C

InChI

InChI=1S/C20H19NO4/c1-3-4-7-14-10-15-19(11-18(14)25-13(2)22)24-12-16(20(15)23)17-8-5-6-9-21-17/h5-6,8-12H,3-4,7H2,1-2H3