3-[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-2-methoxybenzoic acid IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C19H17NO6/c1-24-18-13(3-2-4-14(18)19(22)23)11-7-17(21)20(9-11)12-5-6-15-16(8-12)26-10-25-15/h2-6,8,11H,7,9-10H2,1H3,(H,22,23)