ethyl 4-chloranyl-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-chloranyl-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-chloro-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-[4-[[3-(2-ethylhexoxy)propylamino]-oxomethyl]phenyl]-5-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]-5-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C25H36ClN3O4 MolecularWeight: 478.02404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OCC)Cl)C

Isomeric SMILES

CCCCC(CC)COCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OCC)Cl)C

InChI

InChI=1S/C25H36ClN3O4/c1-5-8-10-19(6-2)17-32-16-9-15-27-24(30)20-11-13-21(14-12-20)29-18(4)22(26)23(28-29)25(31)33-7-3/h11-14,19H,5-10,15-17H2,1-4H3,(H,27,30)