phenethyl 3,5-dimethyladamantane-1-carboxylate

Systemtic Name: phenethyl 3,5-dimethyladamantane-1-carboxylate Openeye Name: phenethyl 3,5-dimethyladamantane-1-carboxylate CAS Name: 3,5-dimethyl-1-adamantanecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3,5-dimethyladamantane-1-carboxylate Traditional Name: 3,5-dimethyladamantane-1-carboxylic acid phenethyl ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C21H28O2/c1-19-10-17-11-20(2,13-19)15-21(12-17,14-19)18(22)23-9-8-16-6-4-3-5-7-16/h3-7,17H,8-15H2,1-2H3