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

Systemtic Name: 6-[4-[4-[2-(4-methylpyridin-2-yl)ethyl]phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-[4-[2-(4-methyl-2-pyridyl)ethyl]phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-[[4-[2-(4-methyl-2-pyridinyl)ethyl]phenoxy]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[4-[2-(4-methylpyridin-2-yl)ethyl]phenoxy]carbonylpiperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-[4-[2-(4-methyl-2-pyridyl)ethyl]phenoxy]carbonylpiperazino]nicotinic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)CCC2=CC=C(C=C2)OC(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=NC=C1)CCC2=CC=C(C=C2)OC(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H26N4O4/c1-18-10-11-26-21(16-18)6-2-19-3-7-22(8-4-19)33-25(32)29-14-12-28(13-15-29)23-9-5-20(17-27-23)24(30)31/h3-5,7-11,16-17H,2,6,12-15H2,1H3,(H,30,31)