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

Systemtic Name: 4-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-[[2-(3,4-diethoxyphenyl)ethylamino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 4-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-2-methyl-pyrazole-3-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(N(N=C2)C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=C2)C)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)13-11-20-21(3)16(13)18(23)24/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,22)(H,23,24)