methyl 5-[[5-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-yl]-oxidanyl-methyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[[5-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-yl]-oxidanyl-methyl]-2-oxidanyl-benzoate Openeye Name: methyl 5-[[5-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-yl]-hydroxy-methyl]-2-hydroxy-benzoate CAS Name: 5-[[5-[2-(1,3-benzodioxol-5-yl)ethyl]-2-pyrrolidinyl]-hydroxymethyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-[[5-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-yl]-hydroxymethyl]-2-hydroxybenzoate Traditional Name: 5-[(5-homopiperonylpyrrolidin-2-yl)-hydroxy-methyl]-2-hydroxy-benzoic acid methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(C2CCC(N2)CCC3=CC4=C(C=C3)OCO4)O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(C2CCC(N2)CCC3=CC4=C(C=C3)OCO4)O)O

InChI

InChI=1S/C22H25NO6/c1-27-22(26)16-11-14(4-8-18(16)24)21(25)17-7-6-15(23-17)5-2-13-3-9-19-20(10-13)29-12-28-19/h3-4,8-11,15,17,21,23-25H,2,5-7,12H2,1H3