2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-pentanoate

Systemtic Name: 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-pentanoate Openeye Name: 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-pentanoate CAS Name: 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoic acid 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl ester IUPAC Name: 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate Traditional Name: 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-valeric acid pyrrolizidin-1-ylmethyl ester Formula: C16H29NO4 MolecularWeight: 299.40576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O

Isomeric SMILES

CCC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O

InChI

InChI=1S/C16H29NO4/c1-4-11(2)16(20,12(3)18)15(19)21-10-13-7-9-17-8-5-6-14(13)17/h11-14,18,20H,4-10H2,1-3H3