(3-butyl-2-oxidanylidene-chromen-4-yl) 3-chloranyl-4-ethoxy-benzoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 3-chloranyl-4-ethoxy-benzoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 3-chloro-4-ethoxy-benzoate CAS Name: 3-chloro-4-ethoxybenzoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 3-chloro-4-ethoxybenzoate Traditional Name: 3-chloro-4-ethoxy-benzoic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C22H21ClO5 MolecularWeight: 400.85214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)C3=CC(=C(C=C3)OCC)Cl

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)C3=CC(=C(C=C3)OCC)Cl

InChI

InChI=1S/C22H21ClO5/c1-3-5-8-16-20(15-9-6-7-10-18(15)27-22(16)25)28-21(24)14-11-12-19(26-4-2)17(23)13-14/h6-7,9-13H,3-5,8H2,1-2H3