4-butyl-7-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-8-methyl-chromen-2-one

Systemtic Name: 4-butyl-7-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-8-methyl-chromen-2-one Openeye Name: 4-butyl-7-[2-(4-chlorophenyl)-2-oxo-ethoxy]-8-methyl-chromen-2-one CAS Name: 4-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-8-methyl-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-8-methylchromen-2-one Traditional Name: 4-butyl-7-[2-(4-chlorophenyl)-2-keto-ethoxy]-8-methyl-coumarin Formula: C22H21ClO4 MolecularWeight: 384.85274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClO4/c1-3-4-5-16-12-21(25)27-22-14(2)20(11-10-18(16)22)26-13-19(24)15-6-8-17(23)9-7-15/h6-12H,3-5,13H2,1-2H3