4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid Openeye Name: 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-tetrahydropyran-2-yl-pyrazole-3-carboxylic acid CAS Name: 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(2-oxanyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid Traditional Name: 4-[[(2,4-dimethoxybenzyl)amino]methyl]-1-tetrahydropyran-2-yl-pyrazole-3-carboxylic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCC2=CN(N=C2C(=O)O)C3CCCCO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNCC2=CN(N=C2C(=O)O)C3CCCCO3)OC

InChI

InChI=1S/C19H25N3O5/c1-25-15-7-6-13(16(9-15)26-2)10-20-11-14-12-22(21-18(14)19(23)24)17-5-3-4-8-27-17/h6-7,9,12,17,20H,3-5,8,10-11H2,1-2H3,(H,23,24)