(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C24H27BrO4 MolecularWeight: 459.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br)C

InChI

InChI=1S/C24H27BrO4/c1-14-3-19-18(6-21(26)29-20(19)4-15(14)2)12-28-22(27)11-23-7-16-5-17(8-23)10-24(25,9-16)13-23/h3-4,6,16-17H,5,7-13H2,1-2H3/t16-,17+,23?,24?