2-(2,6-dimethylphenoxy)ethyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 3-oxidanyladamantane-1-carboxylate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C21H28O4/c1-14-4-3-5-15(2)18(14)24-6-7-25-19(22)20-9-16-8-17(10-20)12-21(23,11-16)13-20/h3-5,16-17,23H,6-13H2,1-2H3