2-methylpropyl 3-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]propanoate

Systemtic Name: 2-methylpropyl 3-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]propanoate Openeye Name: isobutyl 3-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]propanoate CAS Name: 3-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]propanoate Traditional Name: 3-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]propionic acid isobutyl ester Formula: C23H36N2O3 MolecularWeight: 388.54354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CCC1=CC(=C(C(=C1)CN2CCCC2)O)CN3CCCC3

Isomeric SMILES

CC(C)COC(=O)CCC1=CC(=C(C(=C1)CN2CCCC2)O)CN3CCCC3

InChI

InChI=1S/C23H36N2O3/c1-18(2)17-28-22(26)8-7-19-13-20(15-24-9-3-4-10-24)23(27)21(14-19)16-25-11-5-6-12-25/h13-14,18,27H,3-12,15-17H2,1-2H3