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

Systemtic Name: 4-methyl-2-[3-[4-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-[4-(2-piperazin-1-ylthiazol-4-yl)phenyl]phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-[4-[2-(1-piperazinyl)-4-thiazolyl]phenyl]phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-[4-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-[4-(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=C(C=C2)C3=CSC(=N3)N4CCNCC4)C(=O)O

Isomeric SMILES

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

InChI

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