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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C2=CC=CC=C2)C3=NNN=N3)COC(=O)C4=CC=CN4CC

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C2=CC=CC=C2)C3=NNN=N3)COC(=O)C4=CC=CN4CC

InChI

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