3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)piperazine-1-carbonyl]benzoic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C19H18N2O5/c22-18(13-2-1-3-14(10-13)19(23)24)21-8-6-20(7-9-21)15-4-5-16-17(11-15)26-12-25-16/h1-5,10-11H,6-9,12H2,(H,23,24)