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

Systemtic Name: 4,7-dimethyl-5-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4,7-dimethyl-5-[2-oxo-2-(p-tolyl)ethoxy]chromen-2-one CAS Name: 4,7-dimethyl-5-[2-(4-methylphenyl)-2-oxoethoxy]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,7-dimethyl-5-[2-(4-methylphenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 3-benzyl-5-[2-keto-2-(p-tolyl)ethoxy]-4,7-dimethyl-coumarin Formula: C27H24O4 MolecularWeight: 412.47706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC2=CC(=CC3=C2C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC2=CC(=CC3=C2C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H24O4/c1-17-9-11-21(12-10-17)23(28)16-30-24-13-18(2)14-25-26(24)19(3)22(27(29)31-25)15-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3