ethyl 5-butyl-2-(2-methylphenyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butyl-2-(2-methylphenyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-2-(o-tolyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-2-(2-methylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-(2-methylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-2-(o-tolyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrazole-3-carboxylic acid ethyl ester Formula: C31H32N6O2 MolecularWeight: 520.62478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC)C5=CC=CC=C5C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC)C5=CC=CC=C5C

InChI

InChI=1S/C31H32N6O2/c1-4-6-14-27-26(29(31(38)39-5-2)37(34-27)28-15-10-7-11-21(28)3)20-22-16-18-23(19-17-22)24-12-8-9-13-25(24)30-32-35-36-33-30/h7-13,15-19H,4-6,14,20H2,1-3H3,(H,32,33,35,36)