[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [3-(4-methoxyphenyl)isoxazol-5-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [3-(4-methoxyphenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [3-(4-methoxyphenyl)isoxazol-5-yl]methyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC(=NO4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=CC(=NO4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C24H28N2O5/c1-15(27)25-24-11-16-7-17(12-24)10-23(9-16,14-24)22(28)30-13-20-8-21(26-31-20)18-3-5-19(29-2)6-4-18/h3-6,8,16-17H,7,9-14H2,1-2H3,(H,25,27)/t16-,17+,23?,24?