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

Systemtic Name: 2-thiophen-2-ylethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: 2-(2-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-thiophen-2-ylethyl ester IUPAC Name: 2-thiophen-2-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-(2-thienyl)ethyl ester Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCCC4=CC=CS4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCCC4=CC=CS4

InChI

InChI=1S/C24H32N2O3S/c27-23(29-12-7-22-6-5-13-30-22)16-19-14-20(17-25-8-1-2-9-25)24(28)21(15-19)18-26-10-3-4-11-26/h5-6,13-15,28H,1-4,7-12,16-18H2