4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 4-[2,5-diketo-3-(4-piperonylpiperazino)pyrrolidino]benzoic acid Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C23H23N3O6/c27-21-12-18(22(28)26(21)17-4-2-16(3-5-17)23(29)30)25-9-7-24(8-10-25)13-15-1-6-19-20(11-15)32-14-31-19/h1-6,11,18H,7-10,12-14H2,(H,29,30)