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

Systemtic Name: 4-methyl-2-[3-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-[2-(4-methylpiperazin-1-yl)thiazol-4-yl]phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-[2-(4-methyl-1-piperazinyl)-4-thiazolyl]phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-[2-(4-methylpiperazino)thiazol-4-yl]phenyl]valeric acid Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C)C(=O)O

InChI

InChI=1S/C20H27N3O2S/c1-14(2)11-17(19(24)25)15-5-4-6-16(12-15)18-13-26-20(21-18)23-9-7-22(3)8-10-23/h4-6,12-14,17H,7-11H2,1-3H3,(H,24,25)