4-[4-[4-(phenylmethyl)phenyl]piperazin-1-yl]carbonylbenzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

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