[(1S,3S,4R,5R)-3-[(4-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl] (3S)-3-oxidanylbutanoate

Systemtic Name: [(1S,3S,4R,5R)-3-[(4-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl] (3S)-3-oxidanylbutanoate Openeye Name: [(1R,2R,3S,5S)-3-[(4-methoxyphenyl)methyl]-6,6-dimethyl-norpinan-2-yl] (3S)-3-hydroxybutanoate CAS Name: (3S)-3-hydroxybutanoic acid [(1S,3S,4R,5R)-3-[(4-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl] ester IUPAC Name: [(1S,3S,4R,5R)-3-[(4-methoxyphenyl)methyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl] (3S)-3-hydroxybutanoate Traditional Name: (3S)-3-hydroxybutyric acid [(1R,2R,3S,5S)-6,6-dimethyl-3-p-anisyl-norpinan-2-yl] ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1C(CC2CC1C2(C)C)CC3=CC=C(C=C3)OC)O

Isomeric SMILES

C[C@@H](CC(=O)O[C@@H]1[C@@H](C[C@H]2C[C@@H]1C2(C)C)CC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C21H30O4/c1-13(22)9-19(23)25-20-15(11-16-12-18(20)21(16,2)3)10-14-5-7-17(24-4)8-6-14/h5-8,13,15-16,18,20,22H,9-12H2,1-4H3/t13-,15+,16-,18-,20+/m0/s1