6-[[4-[4-(5-chloranylpyridin-2-yl)oxyphenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[[4-[4-(5-chloranylpyridin-2-yl)oxyphenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid Openeye Name: 6-[[4-[4-[(5-chloro-2-pyridyl)oxy]phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid CAS Name: 6-[[4-[[4-[(5-chloro-2-pyridinyl)oxy]phenoxy]-oxomethyl]-1-piperazinyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[[4-[4-(5-chloropyridin-2-yl)oxyphenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid Traditional Name: 6-[[4-[4-[(5-chloro-2-pyridyl)oxy]phenoxy]carbonylpiperazino]methyl]nicotinic acid Formula: C23H21ClN4O5 MolecularWeight: 468.88964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC=C(C=C2)C(=O)O)C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC=C(C=C2)C(=O)O)C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O5/c24-17-2-8-21(26-14-17)32-19-4-6-20(7-5-19)33-23(31)28-11-9-27(10-12-28)15-18-3-1-16(13-25-18)22(29)30/h1-8,13-14H,9-12,15H2,(H,29,30)