methyl 4-[(2R)-2-oxidanyl-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propoxy]benzoate

Systemtic Name: methyl 4-[(2R)-2-oxidanyl-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[(2R)-2-(2-thienyl)pyrrolidino]propoxy]benzoic acid methyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCCC2C3=CC=CS3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CCC[C@@H]2C3=CC=CS3)O

InChI

InChI=1S/C19H23NO4S/c1-23-19(22)14-6-8-16(9-7-14)24-13-15(21)12-20-10-2-4-17(20)18-5-3-11-25-18/h3,5-9,11,15,17,21H,2,4,10,12-13H2,1H3/t15-,17-/m1/s1