[(3R,4R,5S)-4-aminocarbonyloxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] hexanoate

Systemtic Name: [(3R,4R,5S)-4-aminocarbonyloxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] hexanoate Openeye Name: [(3R,4R,5S)-4-carbamoyloxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] hexanoate CAS Name: hexanoic acid [(3R,4R,5S)-4-carbamoyloxy-5-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: [(3R,4R,5S)-4-carbamoyloxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] hexanoate Traditional Name: hexanoic acid [(3R,4R,5S)-4-carbamoyloxy-5-p-anisyl-pyrrolidin-3-yl] ester Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1CNC(C1OC(=O)N)CC2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5/c1-3-4-5-6-17(22)25-16-12-21-15(18(16)26-19(20)23)11-13-7-9-14(24-2)10-8-13/h7-10,15-16,18,21H,3-6,11-12H2,1-2H3,(H2,20,23)/t15-,16+,18+/m0/s1