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

Systemtic Name: thiophen-2-ylmethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: 2-thienylmethyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate CAS Name: 2-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]acetic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]acetic acid 2-thenyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4=CC=CS4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4=CC=CS4

InChI

InChI=1S/C23H30N2O3S/c26-22(28-17-21-6-5-11-29-21)14-18-12-19(15-24-7-1-2-8-24)23(27)20(13-18)16-25-9-3-4-10-25/h5-6,11-13,27H,1-4,7-10,14-17H2