2-[3-[2-(3,5-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[3-[2-(3,5-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]-4-methyl-pentanoic acid Openeye Name: 2-[3-[2-(3,5-dimethylpiperazin-1-yl)thiazol-4-yl]phenyl]-4-methyl-pentanoic acid CAS Name: 2-[3-[2-(3,5-dimethyl-1-piperazinyl)-4-thiazolyl]phenyl]-4-methylpentanoic acid IUPAC Name: 2-[3-[2-(3,5-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]-4-methylpentanoic acid Traditional Name: 2-[3-[2-(3,5-dimethylpiperazino)thiazol-4-yl]phenyl]-4-methyl-valeric acid Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC(=CS2)C3=CC(=CC=C3)C(CC(C)C)C(=O)O

Isomeric SMILES

CC1CN(CC(N1)C)C2=NC(=CS2)C3=CC(=CC=C3)C(CC(C)C)C(=O)O

InChI

InChI=1S/C21H29N3O2S/c1-13(2)8-18(20(25)26)16-6-5-7-17(9-16)19-12-27-21(23-19)24-10-14(3)22-15(4)11-24/h5-7,9,12-15,18,22H,8,10-11H2,1-4H3,(H,25,26)