6-[4-[4-(2-pyridin-2-yloxyethyl)phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[4-(2-pyridin-2-yloxyethyl)phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-[4-[2-(2-pyridyloxy)ethyl]phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-[oxo-[4-[2-(2-pyridinyloxy)ethyl]phenoxy]methyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[4-(2-pyridin-2-yloxyethyl)phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-[4-[2-(2-pyridyloxy)ethyl]phenoxy]carbonylpiperazino]nicotinic acid Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(=O)O)C(=O)OC3=CC=C(C=C3)CCOC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(=O)O)C(=O)OC3=CC=C(C=C3)CCOC4=CC=CC=N4

InChI

InChI=1S/C24H24N4O5/c29-23(30)19-6-9-21(26-17-19)27-12-14-28(15-13-27)24(31)33-20-7-4-18(5-8-20)10-16-32-22-3-1-2-11-25-22/h1-9,11,17H,10,12-16H2,(H,29,30)