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

Systemtic Name: (3-methylphenyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: m-tolyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid m-tolyl ester Formula: C19H23BrO2 MolecularWeight: 363.28872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrO2/c1-13-3-2-4-16(5-13)22-17(21)11-18-7-14-6-15(8-18)10-19(20,9-14)12-18/h2-5,14-15H,6-12H2,1H3/t14-,15+,18?,19?