(phenylmethyl) 2-[6-chloranyl-7-methyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoate

Systemtic Name: (phenylmethyl) 2-[6-chloranyl-7-methyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: benzyl 2-[6-chloro-7-methyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxyacetate CAS Name: 2-[[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl]oxy]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[6-chloro-4-keto-7-methyl-2-(p-tolyl)chromen-3-yl]oxyacetic acid benzyl ester Formula: C26H21ClO5 MolecularWeight: 448.89494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)Cl)OCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)Cl)OCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H21ClO5/c1-16-8-10-19(11-9-16)25-26(24(29)20-13-21(27)17(2)12-22(20)32-25)31-15-23(28)30-14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3