5-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[2-(3,4-diethoxyphenyl)ethylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C=NN2C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C=NN2C)C(=O)O)OCC

InChI

InChI=1S/C18H23N3O5/c1-4-25-14-7-6-12(10-15(14)26-5-2)8-9-19-17(22)16-13(18(23)24)11-20-21(16)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,22)(H,23,24)