5-[1-(4-butan-2-ylphenyl)ethylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[1-(4-butan-2-ylphenyl)ethylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[1-(4-sec-butylphenyl)ethylcarbamoyl]pyrazole-4-carboxylic acid CAS Name: 5-[[1-(4-butan-2-ylphenyl)ethylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[1-(4-butan-2-ylphenyl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[1-(4-sec-butylphenyl)ethylcarbamoyl]pyrazole-4-carboxylic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C)NC(=O)C2=C(C=NN2C)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C)NC(=O)C2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C18H23N3O3/c1-5-11(2)13-6-8-14(9-7-13)12(3)20-17(22)16-15(18(23)24)10-19-21(16)4/h6-12H,5H2,1-4H3,(H,20,22)(H,23,24)