(3,4-dimethoxyphenyl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (3,4-dimethoxyphenyl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid veratryl ester Formula: C21H27BrO4 MolecularWeight: 423.34068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)OC

InChI

InChI=1S/C21H27BrO4/c1-24-17-4-3-14(6-18(17)25-2)12-26-19(23)11-20-7-15-5-16(8-20)10-21(22,9-15)13-20/h3-4,6,15-16H,5,7-13H2,1-2H3/t15-,16+,20?,21?