4-[3-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbonyl]piperidin-1-yl]propoxy]benzoic acid

Systemtic Name: 4-[3-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbonyl]piperidin-1-yl]propoxy]benzoic acid Openeye Name: 4-[3-[4-(4-methyl-1,3-benzothiazole-2-carbonyl)-1-piperidyl]propoxy]benzoic acid CAS Name: 4-[3-[4-[(4-methyl-1,3-benzothiazol-2-yl)-oxomethyl]-1-piperidinyl]propoxy]benzoic acid IUPAC Name: 4-[3-[4-(4-methyl-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]propoxy]benzoic acid Traditional Name: 4-[3-[4-(4-methyl-1,3-benzothiazole-2-carbonyl)piperidino]propoxy]benzoic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)C(=O)C3CCN(CC3)CCCOC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)C(=O)C3CCN(CC3)CCCOC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-16-4-2-5-20-21(16)25-23(31-20)22(27)17-10-13-26(14-11-17)12-3-15-30-19-8-6-18(7-9-19)24(28)29/h2,4-9,17H,3,10-15H2,1H3,(H,28,29)