3-(1-adamantyl)pentan-3-yl 2-methylbutanoate

Systemtic Name: 3-(1-adamantyl)pentan-3-yl 2-methylbutanoate Openeye Name: [1-(1-adamantyl)-1-ethyl-propyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid 3-(1-adamantyl)pentan-3-yl ester IUPAC Name: 3-(1-adamantyl)pentan-3-yl 2-methylbutanoate Traditional Name: 2-methylbutyric acid [1-(1-adamantyl)-1-ethyl-propyl] ester Formula: C20H34O2 MolecularWeight: 306.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC(CC)(CC)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCC(C)C(=O)OC(CC)(CC)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H34O2/c1-5-14(4)18(21)22-20(6-2,7-3)19-11-15-8-16(12-19)10-17(9-15)13-19/h14-17H,5-13H2,1-4H3