1-adamantylmethyl 4-butylbenzoate

Systemtic Name: 1-adamantylmethyl 4-butylbenzoate Openeye Name: 1-adamantylmethyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid 1-adamantylmethyl ester Formula: C22H30O2 MolecularWeight: 326.4724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCC23CC4CC(C2)CC(C4)C3

InChI

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