[(3R,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [(3R,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [(3R,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [(3R,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methyl ester IUPAC Name: [(3R,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [(3R,6R)-6-methyl-3,6-dihydro-o-dioxin-3-yl]methyl ester Formula: C18H25BrO4 MolecularWeight: 385.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(OO1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C[C@@H]1C=C[C@@H](OO1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C18H25BrO4/c1-12-2-3-15(23-22-12)10-21-16(20)9-17-5-13-4-14(6-17)8-18(19,7-13)11-17/h2-3,12-15H,4-11H2,1H3/t12-,13?,14?,15-,17?,18?/m1/s1