2-adamantyl 4-butylbenzoate

Systemtic Name: 2-adamantyl 4-butylbenzoate Openeye Name: 2-adamantyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid 2-adamantyl ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H28O2/c1-2-3-4-14-5-7-17(8-6-14)21(22)23-20-18-10-15-9-16(12-18)13-19(20)11-15/h5-8,15-16,18-20H,2-4,9-13H2,1H3