(2-methyl-2-adamantyl) 4-butan-2-ylbenzoate

Systemtic Name: (2-methyl-2-adamantyl) 4-butan-2-ylbenzoate Openeye Name: (2-methyl-2-adamantyl) 4-sec-butylbenzoate CAS Name: 4-butan-2-ylbenzoic acid (2-methyl-2-adamantyl) ester IUPAC Name: (2-methyl-2-adamantyl) 4-butan-2-ylbenzoate Traditional Name: 4-sec-butylbenzoic acid (2-methyl-2-adamantyl) ester Formula: C22H30O2 MolecularWeight: 326.4724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)OC2(C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)OC2(C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C22H30O2/c1-4-14(2)17-5-7-18(8-6-17)21(23)24-22(3)19-10-15-9-16(12-19)13-20(22)11-15/h5-8,14-16,19-20H,4,9-13H2,1-3H3