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

Systemtic Name: [(2R,5S)-5-acetyloxy-1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl ethanoate Openeye Name: [(2R,5S)-5-acetoxy-1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl acetate CAS Name: acetic acid [(2R,5S)-5-acetyloxy-1-[(3,5-dimethylphenyl)methyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [(2R,5S)-5-acetyloxy-1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl acetate Traditional Name: acetic acid [(2R,5S)-5-acetoxy-1-(3,5-dimethylbenzyl)pyrrolidin-2-yl]methyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C(CCC2OC(=O)C)COC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-12-7-13(2)9-16(8-12)10-19-17(11-22-14(3)20)5-6-18(19)23-15(4)21/h7-9,17-18H,5-6,10-11H2,1-4H3/t17-,18+/m1/s1