4-[(4-methylpiperazin-1-yl)-phenyl-methyl]benzoic acid

Systemtic Name: 4-[(4-methylpiperazin-1-yl)-phenyl-methyl]benzoic acid Openeye Name: 4-[(4-methylpiperazin-1-yl)-phenyl-methyl]benzoic acid CAS Name: 4-[(4-methyl-1-piperazinyl)-phenylmethyl]benzoic acid IUPAC Name: 4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzoic acid Traditional Name: 4-[(4-methylpiperazino)-phenyl-methyl]benzoic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H22N2O2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(10-8-16)19(22)23/h2-10,18H,11-14H2,1H3,(H,22,23)