4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]-1-ethyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]-1-ethyl-pyrazole-3-carboxylic acid Openeye Name: 1-ethyl-4-[(4-hydroxy-3,5-dimethoxy-phenyl)methylamino]pyrazole-3-carboxylic acid CAS Name: 1-ethyl-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-3-pyrazolecarboxylic acid IUPAC Name: 1-ethyl-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]pyrazole-3-carboxylic acid Traditional Name: 1-ethyl-4-[(4-hydroxy-3,5-dimethoxy-benzyl)amino]pyrazole-3-carboxylic acid Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)O)NCC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)O)NCC2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C15H19N3O5/c1-4-18-8-10(13(17-18)15(20)21)16-7-9-5-11(22-2)14(19)12(6-9)23-3/h5-6,8,16,19H,4,7H2,1-3H3,(H,20,21)