(5-ethanoyl-2-methoxy-phenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5/c1-14(25)18-4-5-20(28-3)19(7-18)12-29-21(27)22-8-16-6-17(9-22)11-23(10-16,13-22)24-15(2)26/h4-5,7,16-17H,6,8-13H2,1-3H3,(H,24,26)/t16-,17+,22?,23?