(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H25BrO4 MolecularWeight: 445.3462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H25BrO4/c1-14-2-3-18-17(6-20(25)28-19(18)4-14)12-27-21(26)11-22-7-15-5-16(8-22)10-23(24,9-15)13-22/h2-4,6,15-16H,5,7-13H2,1H3