[(2S,5R)-1-[(3,5-dimethylphenyl)methyl]-5-oxidanyl-pyrrolidin-2-yl]methyl ethanoate

Systemtic Name: [(2S,5R)-1-[(3,5-dimethylphenyl)methyl]-5-oxidanyl-pyrrolidin-2-yl]methyl ethanoate Openeye Name: [(2S,5R)-1-[(3,5-dimethylphenyl)methyl]-5-hydroxy-pyrrolidin-2-yl]methyl acetate CAS Name: acetic acid [(2S,5R)-1-[(3,5-dimethylphenyl)methyl]-5-hydroxy-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S,5R)-1-[(3,5-dimethylphenyl)methyl]-5-hydroxypyrrolidin-2-yl]methyl acetate Traditional Name: acetic acid [(2S,5R)-1-(3,5-dimethylbenzyl)-5-hydroxy-pyrrolidin-2-yl]methyl ester Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C(CCC2O)COC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2[C@@H](CC[C@H]2O)COC(=O)C)C

InChI

InChI=1S/C16H23NO3/c1-11-6-12(2)8-14(7-11)9-17-15(4-5-16(17)19)10-20-13(3)18/h6-8,15-16,19H,4-5,9-10H2,1-3H3/t15-,16+/m0/s1