(2-methyl-2-adamantyl) 3-ethyl-3-methyl-5-phenyl-hexanoate

Systemtic Name: (2-methyl-2-adamantyl) 3-ethyl-3-methyl-5-phenyl-hexanoate Openeye Name: (2-methyl-2-adamantyl) 3-ethyl-3-methyl-5-phenyl-hexanoate CAS Name: 3-ethyl-3-methyl-5-phenylhexanoic acid (2-methyl-2-adamantyl) ester IUPAC Name: (2-methyl-2-adamantyl) 3-ethyl-3-methyl-5-phenylhexanoate Traditional Name: 3-ethyl-3-methyl-5-phenyl-hexanoic acid (2-methyl-2-adamantyl) ester Formula: C26H38O2 MolecularWeight: 382.57872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38O2/c1-5-25(3,16-18(2)21-9-7-6-8-10-21)17-24(27)28-26(4)22-12-19-11-20(14-22)15-23(26)13-19/h6-10,18-20,22-23H,5,11-17H2,1-4H3