4-[2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 4-[2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-(4-tetrahydropyran-4-ylpiperazin-1-yl)thiazol-4-yl]benzoic acid CAS Name: 4-[2-[4-(4-oxanyl)-1-piperazinyl]-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-(4-tetrahydropyran-4-ylpiperazino)thiazol-4-yl]benzoic acid Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCC1N2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H23N3O3S/c23-18(24)15-3-1-14(2-4-15)17-13-26-19(20-17)22-9-7-21(8-10-22)16-5-11-25-12-6-16/h1-4,13,16H,5-12H2,(H,23,24)