4-phenylbutyl adamantane-1-carboxylate

Systemtic Name: 4-phenylbutyl adamantane-1-carboxylate Openeye Name: 4-phenylbutyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 4-phenylbutyl ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCCCCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCCCCC4=CC=CC=C4

InChI

InChI=1S/C21H28O2/c22-20(23-9-5-4-8-16-6-2-1-3-7-16)21-13-17-10-18(14-21)12-19(11-17)15-21/h1-3,6-7,17-19H,4-5,8-15H2