4-[[[3-(4-pyridin-4-ylphenyl)-1,2-thiazol-5-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[3-(4-pyridin-4-ylphenyl)-1,2-thiazol-5-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[3-[4-(4-pyridyl)phenyl]isothiazole-5-carbonyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[oxo-[3-(4-pyridin-4-ylphenyl)-5-isothiazolyl]methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[3-(4-pyridin-4-ylphenyl)-1,2-thiazole-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[3-[4-(4-pyridyl)phenyl]isothiazole-5-carbonyl]amino]methyl]cyclohexanecarboxylic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C2=CC(=NS2)C3=CC=C(C=C3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=CC(=NS2)C3=CC=C(C=C3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C23H23N3O3S/c27-22(25-14-15-1-3-19(4-2-15)23(28)29)21-13-20(26-30-21)18-7-5-16(6-8-18)17-9-11-24-12-10-17/h5-13,15,19H,1-4,14H2,(H,25,27)(H,28,29)