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

Systemtic Name: ethyl 5-butan-2-yl-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]-5-sec-butyl-pyrazole-3-carboxylate CAS Name: 5-butan-2-yl-1-[4-[[3-(2-ethylhexoxy)propylamino]-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butan-2-yl-1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-[3-(2-ethylhexoxy)propylcarbamoyl]phenyl]-5-sec-butyl-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)CC

Isomeric SMILES

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

InChI

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