2-[(3-carboxycyclohexyl)methyl]-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 2-[(3-carboxycyclohexyl)methyl]-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 2-[(3-carboxycyclohexyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 2-[(3-carboxycyclohexyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 2-[(3-carboxycyclohexyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 2-[(3-carboxycyclohexyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C24H23ClN2O6S MolecularWeight: 502.96722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(=O)O)CN2C(=C(C(=N2)C3=CC=CS3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

Isomeric SMILES

C1CC(CC(C1)C(=O)O)CN2C(=C(C(=N2)C3=CC=CS3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

InChI

InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,28,29)(H,30,31)