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

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H25ClO5 MolecularWeight: 392.8732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)OC

InChI

InChI=1S/C21H25ClO5/c1-25-15-3-4-16(18(6-15)26-2)17(23)11-27-19(24)20-7-13-5-14(8-20)10-21(22,9-13)12-20/h3-4,6,13-14H,5,7-12H2,1-2H3/t13-,14+,20?,21?