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

Systemtic Name: (3,4-dimethylphenyl) (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (3,4-dimethylphenyl) (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (3,4-dimethylphenyl) ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O3/c1-12-3-4-16(5-13(12)2)22-17(20)18-7-14-6-15(8-18)10-19(21,9-14)11-18/h3-5,14-15,21H,6-11H2,1-2H3/t14-,15+,18?,19?