2-[5-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]pyridin-3-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[5-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]pyridin-3-yl]-4-methyl-pentanoic acid Openeye Name: 2-[5-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-3-pyridyl]-4-methyl-pentanoic acid CAS Name: 2-[5-[4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]-3-pyridinyl]-4-methylpentanoic acid IUPAC Name: 2-[5-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]pyridin-3-yl]-4-methylpentanoic acid Traditional Name: 2-[5-[4-[4-(2-hydroxyethyl)piperazino]phenyl]-3-pyridyl]-4-methyl-valeric acid Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CN=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)CCO)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CN=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)CCO)C(=O)O

InChI

InChI=1S/C23H31N3O3/c1-17(2)13-22(23(28)29)20-14-19(15-24-16-20)18-3-5-21(6-4-18)26-9-7-25(8-10-26)11-12-27/h3-6,14-17,22,27H,7-13H2,1-2H3,(H,28,29)