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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[4-oxidanyl-3-(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetate CAS Name: 2-[4-hydroxy-3-(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-(pyrrolidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[4-hydroxy-3-(pyrrolidinomethyl)phenyl]acetic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=CC(=C2)CC(=O)OCC3COC4=CC=CC=C4O3)O

Isomeric SMILES

C1CCN(C1)CC2=C(C=CC(=C2)CC(=O)OCC3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C22H25NO5/c24-19-8-7-16(11-17(19)13-23-9-3-4-10-23)12-22(25)27-15-18-14-26-20-5-1-2-6-21(20)28-18/h1-2,5-8,11,18,24H,3-4,9-10,12-15H2