2-[2-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzoic acid

Systemtic Name: 2-[2-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzoic acid Openeye Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]benzoic acid CAS Name: 2-[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]benzoic acid Traditional Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]benzoic acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H24N2O3/c28-24(27-16-14-26(15-17-27)18-19-8-2-1-3-9-19)22-12-6-4-10-20(22)21-11-5-7-13-23(21)25(29)30/h1-13H,14-18H2,(H,29,30)