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

Systemtic Name: 4-methyl-2-[2-(4-piperazin-1-ylphenyl)-1,3-thiazol-4-yl]pentanoic acid Openeye Name: 4-methyl-2-[2-(4-piperazin-1-ylphenyl)thiazol-4-yl]pentanoic acid CAS Name: 4-methyl-2-[2-[4-(1-piperazinyl)phenyl]-4-thiazolyl]pentanoic acid IUPAC Name: 4-methyl-2-[2-(4-piperazin-1-ylphenyl)-1,3-thiazol-4-yl]pentanoic acid Traditional Name: 4-methyl-2-[2-(4-piperazinophenyl)thiazol-4-yl]valeric acid Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CSC(=N1)C2=CC=C(C=C2)N3CCNCC3)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CSC(=N1)C2=CC=C(C=C2)N3CCNCC3)C(=O)O

InChI

InChI=1S/C19H25N3O2S/c1-13(2)11-16(19(23)24)17-12-25-18(21-17)14-3-5-15(6-4-14)22-9-7-20-8-10-22/h3-6,12-13,16,20H,7-11H2,1-2H3,(H,23,24)