7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-4,8-dimethyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-4,8-dimethyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-[2-(4-bromophenyl)-2-oxo-ethoxy]-4,8-dimethyl-chromen-2-one CAS Name: 7-[2-(4-bromophenyl)-2-oxoethoxy]-4,8-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-[2-(4-bromophenyl)-2-oxoethoxy]-4,8-dimethylchromen-2-one Traditional Name: 3-benzyl-7-[2-(4-bromophenyl)-2-keto-ethoxy]-4,8-dimethyl-coumarin Formula: C26H21BrO4 MolecularWeight: 477.34654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C26H21BrO4/c1-16-21-12-13-24(30-15-23(28)19-8-10-20(27)11-9-19)17(2)25(21)31-26(29)22(16)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3