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

Systemtic Name: 5-benzamido-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-benzamido-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzoic acid CAS Name: 5-benzamido-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-benzamido-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-benzamido-2-(4-piperonylpiperazino)benzoic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O5/c30-25(19-4-2-1-3-5-19)27-20-7-8-22(21(15-20)26(31)32)29-12-10-28(11-13-29)16-18-6-9-23-24(14-18)34-17-33-23/h1-9,14-15H,10-13,16-17H2,(H,27,30)(H,31,32)