[2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(6-methoxy-2-naphthyl)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(6-methoxy-2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-keto-2-(6-methoxy-2-naphthyl)ethyl] ester Formula: C25H27BrO4 MolecularWeight: 471.38348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C25H27BrO4/c1-29-21-5-4-18-7-20(3-2-19(18)8-21)22(27)14-30-23(28)13-24-9-16-6-17(10-24)12-25(26,11-16)15-24/h2-5,7-8,16-17H,6,9-15H2,1H3