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

Systemtic Name: 6-[4-[4-(2-pyridin-3-yloxyethyl)phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-[4-[2-(3-pyridyloxy)ethyl]phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-[oxo-[4-[2-(3-pyridinyloxy)ethyl]phenoxy]methyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[4-(2-pyridin-3-yloxyethyl)phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-[4-[2-(3-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=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(=O)O)C(=O)OC3=CC=C(C=C3)CCOC4=CN=CC=C4

InChI

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