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

Systemtic Name: 3-butyl-7-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-4-methyl-chromen-2-one Openeye Name: 3-butyl-7-[2-(4-chlorophenyl)-2-oxo-ethoxy]-4-methyl-chromen-2-one CAS Name: 3-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methylchromen-2-one Traditional Name: 3-butyl-7-[2-(4-chlorophenyl)-2-keto-ethoxy]-4-methyl-coumarin Formula: C22H21ClO4 MolecularWeight: 384.85274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C(C=C2)OCC(=O)C3=CC=C(C=C3)Cl)OC1=O)C

Isomeric SMILES

CCCCC1=C(C2=C(C=C(C=C2)OCC(=O)C3=CC=C(C=C3)Cl)OC1=O)C

InChI

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