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

Systemtic Name: ethyl 5-tert-butyl-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1-[4-[[3-(2-ethylhexoxy)propylamino]-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C28H43N3O4 MolecularWeight: 485.65872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43N3O4/c1-7-10-12-21(8-2)20-34-18-11-17-29-26(32)22-13-15-23(16-14-22)31-25(28(4,5)6)19-24(30-31)27(33)35-9-3/h13-16,19,21H,7-12,17-18,20H2,1-6H3,(H,29,32)