3-methyl-5-phenyl-adamantane-1-carboxylic acid

Systemtic Name: 3-methyl-5-phenyl-adamantane-1-carboxylic acid Openeye Name: 3-methyl-5-phenyl-adamantane-1-carboxylic acid CAS Name: 3-methyl-5-phenyl-1-adamantanecarboxylic acid IUPAC Name: 3-methyl-5-phenyladamantane-1-carboxylic acid Traditional Name: 3-methyl-5-phenyl-adamantane-1-carboxylic acid Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O2/c1-16-7-13-8-17(10-16,14-5-3-2-4-6-14)12-18(9-13,11-16)15(19)20/h2-6,13H,7-12H2,1H3,(H,19,20)