2-[[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]benzoic acid

Systemtic Name: 2-[[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]benzoic acid Openeye Name: 2-[[4-(p-tolyl)piperazin-1-yl]iminomethyl]benzoic acid CAS Name: 2-[[4-(4-methylphenyl)-1-piperazinyl]iminomethyl]benzoic acid IUPAC Name: 2-[[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]benzoic acid Traditional Name: 2-[[4-(p-tolyl)piperazino]iminomethyl]benzoic acid Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)N=CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H21N3O2/c1-15-6-8-17(9-7-15)21-10-12-22(13-11-21)20-14-16-4-2-3-5-18(16)19(23)24/h2-9,14H,10-13H2,1H3,(H,23,24)