[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C21H25BrO4 MolecularWeight: 421.3248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H25BrO4/c1-2-25-17-5-3-16(4-6-17)18(23)12-26-19(24)20-8-14-7-15(9-20)11-21(22,10-14)13-20/h3-6,14-15H,2,7-13H2,1H3/t14-,15+,20?,21?