(4-methylphenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (4-methylphenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: p-tolylmethyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (4-methylbenzyl) ester Formula: C20H26O3 MolecularWeight: 314.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C20H26O3/c1-14-2-4-15(5-3-14)12-23-18(21)11-19-7-16-6-17(8-19)10-20(22,9-16)13-19/h2-5,16-17,22H,6-13H2,1H3/t16-,17+,19?,20?