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

Systemtic Name: (phenylmethyl) 2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoate Openeye Name: benzyl 2-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoate CAS Name: 2-[[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxypropanoate Traditional Name: 2-[3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl]oxypropionic acid benzyl ester Formula: C27H23ClO6 MolecularWeight: 478.92092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H23ClO6/c1-16-11-21(12-17(2)25(16)28)34-24-15-31-23-13-20(9-10-22(23)26(24)29)33-18(3)27(30)32-14-19-7-5-4-6-8-19/h4-13,15,18H,14H2,1-3H3