(3,5-dimethyl-1,2-oxazol-4-yl)methyl (5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl (5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl (5S,7R)-3-(p-tolyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(4-methylphenyl)-1-adamantanecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl (5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(p-tolyl)adamantane-1-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=C(ON=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)OCC5=C(ON=C5C)C

InChI

InChI=1S/C24H29NO3/c1-15-4-6-20(7-5-15)23-9-18-8-19(10-23)12-24(11-18,14-23)22(26)27-13-21-16(2)25-28-17(21)3/h4-7,18-19H,8-14H2,1-3H3/t18-,19+,23?,24?