4-(4-phenethylpiperazin-1-yl)benzoic acid

Systemtic Name: 4-(4-phenethylpiperazin-1-yl)benzoic acid Openeye Name: 4-(4-phenethylpiperazin-1-yl)benzoic acid CAS Name: 4-(4-phenethyl-1-piperazinyl)benzoic acid IUPAC Name: 4-(4-phenethylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-phenethylpiperazino)benzoic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H22N2O2/c22-19(23)17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,23)