methyl 4-[(3S,5R)-4-methyl-4-oxidanyl-1-adamantyl]benzoate

Systemtic Name: methyl 4-[(3S,5R)-4-methyl-4-oxidanyl-1-adamantyl]benzoate Openeye Name: methyl 4-[(3S,5R)-4-hydroxy-4-methyl-1-adamantyl]benzoate CAS Name: 4-[(3S,5R)-4-hydroxy-4-methyl-1-adamantyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S,5R)-4-hydroxy-4-methyl-1-adamantyl]benzoate Traditional Name: 4-[(3S,5R)-4-hydroxy-4-methyl-1-adamantyl]benzoic acid methyl ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC1CC(C3)(C2)C4=CC=C(C=C4)C(=O)OC)O

Isomeric SMILES

CC1([C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=C(C=C4)C(=O)OC)O

InChI

InChI=1S/C19H24O3/c1-18(21)15-7-12-8-16(18)11-19(9-12,10-15)14-5-3-13(4-6-14)17(20)22-2/h3-6,12,15-16,21H,7-11H2,1-2H3/t12?,15-,16+,18?,19?