[(2R,3S,4S)-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-1-prop-2-ynyl-pyrrolidin-3-yl] ethanoate

Systemtic Name: [(2R,3S,4S)-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-1-prop-2-ynyl-pyrrolidin-3-yl] ethanoate Openeye Name: [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-1-prop-2-ynyl-pyrrolidin-3-yl] acetate CAS Name: acetic acid [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-1-prop-2-ynyl-3-pyrrolidinyl] ester IUPAC Name: [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-1-prop-2-ynylpyrrolidin-3-yl] acetate Traditional Name: acetic acid [(2R,3S,4S)-4-hydroxy-2-p-anisyl-1-propargyl-pyrrolidin-3-yl] ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CN(C1CC2=CC=C(C=C2)OC)CC#C)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](CN([C@@H]1CC2=CC=C(C=C2)OC)CC#C)O

InChI

InChI=1S/C17H21NO4/c1-4-9-18-11-16(20)17(22-12(2)19)15(18)10-13-5-7-14(21-3)8-6-13/h1,5-8,15-17,20H,9-11H2,2-3H3/t15-,16+,17+/m1/s1