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

Systemtic Name: 2-(2-chloranylphenoxy)ethyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: 2-(2-chlorophenoxy)ethyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid 2-(2-chlorophenoxy)ethyl ester IUPAC Name: 2-(2-chlorophenoxy)ethyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid 2-(2-chlorophenoxy)ethyl ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCCOC4=CC=CC=C4Cl

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCCOC4=CC=CC=C4Cl

InChI

InChI=1S/C21H26ClNO4/c1-14(24)23-21-11-15-8-16(12-21)10-20(9-15,13-21)19(25)27-7-6-26-18-5-3-2-4-17(18)22/h2-5,15-16H,6-13H2,1H3,(H,23,24)/t15-,16+,20?,21?