butanoyl 3-(1-adamantyl)benzoate

Systemtic Name: butanoyl 3-(1-adamantyl)benzoate Openeye Name: butanoyl 3-(1-adamantyl)benzoate CAS Name: 3-(1-adamantyl)benzoic acid 1-oxobutyl ester IUPAC Name: butanoyl 3-(1-adamantyl)benzoate Traditional Name: 3-(1-adamantyl)benzoic acid butyryl ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(=O)C1=CC(=CC=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCC(=O)OC(=O)C1=CC(=CC=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26O3/c1-2-4-19(22)24-20(23)17-5-3-6-18(10-17)21-11-14-7-15(12-21)9-16(8-14)13-21/h3,5-6,10,14-16H,2,4,7-9,11-13H2,1H3