2-(4-methoxyphenyl)ethyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: 2-(4-methoxyphenyl)ethyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: 2-(4-methoxyphenyl)ethyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid 2-(4-methoxyphenyl)ethyl ester Formula: C20H25BrO3 MolecularWeight: 393.3147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCOC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CCOC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H25BrO3/c1-23-17-4-2-14(3-5-17)6-7-24-18(22)19-9-15-8-16(10-19)12-20(21,11-15)13-19/h2-5,15-16H,6-13H2,1H3/t15-,16+,19?,20?