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

Systemtic Name: oxan-2-ylmethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: tetrahydropyran-2-ylmethyl 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-oxanylmethyl ester IUPAC Name: oxan-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 tetrahydropyran-2-ylmethyl ester Formula: C24H36N2O4 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COC(=O)CC2=CC(=C(C(=C2)CN3CCCC3)O)CN4CCCC4

Isomeric SMILES

C1CCOC(C1)COC(=O)CC2=CC(=C(C(=C2)CN3CCCC3)O)CN4CCCC4

InChI

InChI=1S/C24H36N2O4/c27-23(30-18-22-7-1-6-12-29-22)15-19-13-20(16-25-8-2-3-9-25)24(28)21(14-19)17-26-10-4-5-11-26/h13-14,22,28H,1-12,15-18H2