5-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-4,7-dimethyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 5-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-4,7-dimethyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-5-[2-(4-chlorophenyl)-2-oxo-ethoxy]-4,7-dimethyl-chromen-2-one CAS Name: 5-[2-(4-chlorophenyl)-2-oxoethoxy]-4,7-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-5-[2-(4-chlorophenyl)-2-oxoethoxy]-4,7-dimethylchromen-2-one Traditional Name: 3-benzyl-5-[2-(4-chlorophenyl)-2-keto-ethoxy]-4,7-dimethyl-coumarin Formula: C26H21ClO4 MolecularWeight: 432.89554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H21ClO4/c1-16-12-23(30-15-22(28)19-8-10-20(27)11-9-19)25-17(2)21(26(29)31-24(25)13-16)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3