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

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C22H29BrO2 MolecularWeight: 405.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)C(C)C

InChI

InChI=1S/C22H29BrO2/c1-14(2)19-5-4-18(6-15(19)3)25-20(24)12-21-8-16-7-17(9-21)11-22(23,10-16)13-21/h4-6,14,16-17H,7-13H2,1-3H3/t16-,17+,21?,22?