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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-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 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]acetic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H34N2O5/c30-26(33-19-23-18-32-24-7-1-2-8-25(24)34-23)15-20-13-21(16-28-9-3-4-10-28)27(31)22(14-20)17-29-11-5-6-12-29/h1-2,7-8,13-14,23,31H,3-6,9-12,15-19H2