2-(3,5-dimethylphenoxy)ethyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 3-acetamidoadamantane-1-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C

InChI

InChI=1S/C23H31NO4/c1-15-6-16(2)8-20(7-15)27-4-5-28-21(26)22-10-18-9-19(11-22)13-23(12-18,14-22)24-17(3)25/h6-8,18-19H,4-5,9-14H2,1-3H3,(H,24,25)