2-(4-ethoxyphenoxy)ethyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: 2-(4-ethoxyphenoxy)ethyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)ethyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid 2-(4-ethoxyphenoxy)ethyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O5/c1-2-24-17-3-5-18(6-4-17)25-7-8-26-19(22)20-10-15-9-16(11-20)13-21(23,12-15)14-20/h3-6,15-16,23H,2,7-14H2,1H3/t15-,16+,20?,21?