(2-tert-butyl-4-methoxy-phenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (2-tert-butyl-4-methoxy-phenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (2-tert-butyl-4-methoxy-phenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-tert-butyl-4-methoxyphenyl) ester IUPAC Name: (2-tert-butyl-4-methoxyphenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-tert-butyl-4-methoxy-phenyl) ester Formula: C23H31BrO3 MolecularWeight: 435.39444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrO3/c1-21(2,3)18-8-17(26-4)5-6-19(18)27-20(25)13-22-9-15-7-16(10-22)12-23(24,11-15)14-22/h5-6,8,15-16H,7,9-14H2,1-4H3/t15-,16+,22?,23?