(3-methyl-4-propan-2-yl-phenyl) adamantane-1-carboxylate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) adamantane-1-carboxylate Openeye Name: (4-isopropyl-3-methyl-phenyl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O2/c1-13(2)19-5-4-18(6-14(19)3)23-20(22)21-10-15-7-16(11-21)9-17(8-15)12-21/h4-6,13,15-17H,7-12H2,1-3H3