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2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylbenzoic acid

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name:2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylbenzoic acid
Openeye Name:2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]benzoic acid
CAS Name:2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]benzoic acid
IUPAC Name:2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]benzoic acid
Traditional Name:2-(4-piperonylpiperazine-1-carbonyl)benzoic acid
Formula: C20H20N2O5
MolecularWeight: 368.3832
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4C(=O)O


Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4C(=O)O


InChI

InChI=1S/C20H20N2O5/c23-19(15-3-1-2-4-16(15)20(24)25)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,24,25)


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