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

Systemtic Name: 4-methyl-2-[3-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-[2-(piperazin-1-ylmethyl)thiazol-4-yl]phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-[2-(1-piperazinylmethyl)-4-thiazolyl]phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-[2-(piperazinomethyl)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)CN3CCNCC3)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CSC(=N2)CN3CCNCC3)C(=O)O

InChI

InChI=1S/C20H27N3O2S/c1-14(2)10-17(20(24)25)15-4-3-5-16(11-15)18-13-26-19(22-18)12-23-8-6-21-7-9-23/h3-5,11,13-14,17,21H,6-10,12H2,1-2H3,(H,24,25)