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

Systemtic Name: 6-[[4-[4-[(5-methylpyridin-2-yl)methyl]phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid Openeye Name: 6-[[4-[4-[(5-methyl-2-pyridyl)methyl]phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid CAS Name: 6-[[4-[[4-[(5-methyl-2-pyridinyl)methyl]phenoxy]-oxomethyl]-1-piperazinyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[[4-[4-[(5-methylpyridin-2-yl)methyl]phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid Traditional Name: 6-[[4-[4-[(5-methyl-2-pyridyl)methyl]phenoxy]carbonylpiperazino]methyl]nicotinic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)CC2=CC=C(C=C2)OC(=O)N3CCN(CC3)CC4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)CC2=CC=C(C=C2)OC(=O)N3CCN(CC3)CC4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H26N4O4/c1-18-2-6-21(26-15-18)14-19-3-8-23(9-4-19)33-25(32)29-12-10-28(11-13-29)17-22-7-5-20(16-27-22)24(30)31/h2-9,15-16H,10-14,17H2,1H3,(H,30,31)