ethanol; 2-[4-(phenylmethyl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: ethanol; 2-[4-(phenylmethyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-(4-benzylpiperazine-1-carbonyl)benzoic acid; ethanol CAS Name: ethanol; 2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 2-(4-benzylpiperazine-1-carbonyl)benzoic acid; ethanol Traditional Name: 2-(4-benzylpiperazine-1-carbonyl)benzoic acid; ethanol Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCO.C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H20N2O3.C2H6O/c22-18(16-8-4-5-9-17(16)19(23)24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15;1-2-3/h1-9H,10-14H2,(H,23,24);3H,2H2,1H3