(3,4,5-trimethoxyphenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (3,4,5-trimethoxyphenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (3,4,5-trimethoxybenzyl) ester Formula: C21H27ClO5 MolecularWeight: 394.88908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H27ClO5/c1-24-16-5-13(6-17(25-2)18(16)26-3)11-27-19(23)20-7-14-4-15(8-20)10-21(22,9-14)12-20/h5-6,14-15H,4,7-12H2,1-3H3/t14-,15+,20?,21?