2-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzoic acid Openeye Name: 2-[[4-[1-(4-pyridylmethyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzoic acid CAS Name: 2-[[4-[oxo-[1-(pyridin-4-ylmethyl)-4-piperidinyl]methyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 2-[[4-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzoic acid Traditional Name: 2-[[4-[1-(4-pyridylmethyl)isonipecotoyl]piperazino]methyl]benzoic acid Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3C(=O)O)CC4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3C(=O)O)CC4=CC=NC=C4

InChI

InChI=1S/C24H30N4O3/c29-23(20-7-11-26(12-8-20)17-19-5-9-25-10-6-19)28-15-13-27(14-16-28)18-21-3-1-2-4-22(21)24(30)31/h1-6,9-10,20H,7-8,11-18H2,(H,30,31)