2-(4-methoxyphenoxy)ethyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: 2-(4-methoxyphenoxy)ethyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: 2-(4-methoxyphenoxy)ethyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid 2-(4-methoxyphenoxy)ethyl ester IUPAC Name: 2-(4-methoxyphenoxy)ethyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid 2-(4-methoxyphenoxy)ethyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCCOC4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H29NO5/c1-15(24)23-22-12-16-9-17(13-22)11-21(10-16,14-22)20(25)28-8-7-27-19-5-3-18(26-2)4-6-19/h3-6,16-17H,7-14H2,1-2H3,(H,23,24)/t16-,17+,21?,22?