3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(homoveratrylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C16H19N3O5/c1-19-9-11(16(21)22)14(18-19)15(20)17-7-6-10-4-5-12(23-2)13(8-10)24-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)(H,21,22)