2-thiophen-3-ylethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate

Systemtic Name: 2-thiophen-3-ylethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: 2-(3-thienyl)ethyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate CAS Name: 2-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]acetic acid 2-(3-thiophenyl)ethyl ester IUPAC Name: 2-thiophen-3-ylethyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]acetic acid 2-(3-thienyl)ethyl ester Formula: C24H32N2O3S MolecularWeight: 428.58748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCCC4=CSC=C4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCCC4=CSC=C4

InChI

InChI=1S/C24H32N2O3S/c27-23(29-11-5-19-6-12-30-18-19)15-20-13-21(16-25-7-1-2-8-25)24(28)22(14-20)17-26-9-3-4-10-26/h6,12-14,18,28H,1-5,7-11,15-17H2