3-(4-methylphenoxy)propyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: 3-(4-methylphenoxy)propyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: 3-(4-methylphenoxy)propyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid 3-(4-methylphenoxy)propyl ester IUPAC Name: 3-(4-methylphenoxy)propyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid 3-(4-methylphenoxy)propyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)OCCCOC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H28O4/c1-15-3-5-18(6-4-15)24-7-2-8-25-19(22)20-10-16-9-17(11-20)13-21(23,12-16)14-20/h3-6,16-17,23H,2,7-14H2,1H3/t16-,17+,20?,21?