[4-(1-adamantyl)phenyl] adamantane-1-carboxylate

Systemtic Name: [4-(1-adamantyl)phenyl] adamantane-1-carboxylate Openeye Name: [4-(1-adamantyl)phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-(1-adamantyl)phenyl] ester Formula: C27H34O2 MolecularWeight: 390.55766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C27H34O2/c28-25(27-14-20-8-21(15-27)10-22(9-20)16-27)29-24-3-1-23(2-4-24)26-11-17-5-18(12-26)7-19(6-17)13-26/h1-4,17-22H,5-16H2