(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(3-bromanylphenoxy)butanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H25BrO5 MolecularWeight: 473.3563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCOC3=CC(=CC=C3)Br)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCOC3=CC(=CC=C3)Br)C(C)C

InChI

InChI=1S/C24H25BrO5/c1-15(2)20-13-21-17(11-24(27)30-22(21)10-16(20)3)14-29-23(26)8-5-9-28-19-7-4-6-18(25)12-19/h4,6-7,10-13,15H,5,8-9,14H2,1-3H3