4-methyl-2-[3-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]phenyl]pentanoic acid

Systemtic Name: 4-methyl-2-[3-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-[3-(2-piperazin-1-ylthiazol-4-yl)phenyl]phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-[3-[2-(1-piperazinyl)-4-thiazolyl]phenyl]phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-[3-(2-piperazinothiazol-4-yl)phenyl]phenyl]valeric acid Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)N4CCNCC4)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)N4CCNCC4)C(=O)O

InChI

InChI=1S/C25H29N3O2S/c1-17(2)13-22(24(29)30)20-7-3-5-18(14-20)19-6-4-8-21(15-19)23-16-31-25(27-23)28-11-9-26-10-12-28/h3-8,14-17,22,26H,9-13H2,1-2H3,(H,29,30)