(phenylmethyl) 2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxybutanoate

Systemtic Name: (phenylmethyl) 2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxybutanoate Openeye Name: benzyl 2-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl]oxybutanoate CAS Name: 2-[[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxybutanoate Traditional Name: 2-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl]oxybutyric acid benzyl ester Formula: C28H25ClO6 MolecularWeight: 492.9475

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=CC=C1)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C

Isomeric SMILES

CCC(C(=O)OCC1=CC=CC=C1)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C

InChI

InChI=1S/C28H25ClO6/c1-4-23(28(31)33-15-19-8-6-5-7-9-19)34-20-10-11-22-24(14-20)32-16-25(27(22)30)35-21-12-17(2)26(29)18(3)13-21/h5-14,16,23H,4,15H2,1-3H3