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

Systemtic Name: methyl 2-[(5R,7S)-3-[4-(2-bromanyl-2-methyl-propanoyl)phenyl]-1-adamantyl]ethanoate Openeye Name: methyl 2-[(5R,7S)-3-[4-(2-bromo-2-methyl-propanoyl)phenyl]-1-adamantyl]acetate CAS Name: 2-[(5R,7S)-3-[4-(2-bromo-2-methyl-1-oxopropyl)phenyl]-1-adamantyl]acetic acid methyl ester IUPAC Name: methyl 2-[(5R,7S)-3-[4-(2-bromo-2-methylpropanoyl)phenyl]-1-adamantyl]acetate Traditional Name: 2-[(5R,7S)-3-[4-(2-bromo-2-methyl-propanoyl)phenyl]-1-adamantyl]acetic acid methyl ester Formula: C23H29BrO3 MolecularWeight: 433.37856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)OC)Br

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CC(=O)OC)Br

InChI

InChI=1S/C23H29BrO3/c1-21(2,24)20(26)17-4-6-18(7-5-17)23-11-15-8-16(12-23)10-22(9-15,14-23)13-19(25)27-3/h4-7,15-16H,8-14H2,1-3H3/t15-,16+,22?,23?