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

Systemtic Name: ethyl 5-butyl-1-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]pyrrole-2-carboxylate Openeye Name: ethyl 5-butyl-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrrole-2-carboxylate CAS Name: 5-butyl-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrrole-2-carboxylate Traditional Name: 5-butyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]pyrrole-2-carboxylic acid ethyl ester Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4)C(=O)OCC

InChI

InChI=1S/C25H27N5O2/c1-3-5-11-20-13-15-23(25(31)32-4-2)30(20)17-18-12-14-21(19-9-7-6-8-10-19)22(16-18)24-26-28-29-27-24/h6-10,12-16H,3-5,11,17H2,1-2H3,(H,26,27,28,29)