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

Systemtic Name: 1-[[2-butyl-4-phenyl-5-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]pyrrole-2-carboxylic acid Openeye Name: 1-[[2-butyl-4-phenyl-5-(2H-tetrazol-5-yl)phenyl]methyl]pyrrole-2-carboxylic acid CAS Name: 1-[[2-butyl-4-phenyl-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[[2-butyl-4-phenyl-5-(2H-tetrazol-5-yl)phenyl]methyl]pyrrole-2-carboxylic acid Traditional Name: 1-[2-butyl-4-phenyl-5-(2H-tetrazol-5-yl)benzyl]pyrrole-2-carboxylic acid Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C2=CC=CC=C2)C3=NNN=N3)CN4C=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C2=CC=CC=C2)C3=NNN=N3)CN4C=CC=C4C(=O)O

InChI

InChI=1S/C23H23N5O2/c1-2-3-8-17-13-19(16-9-5-4-6-10-16)20(22-24-26-27-25-22)14-18(17)15-28-12-7-11-21(28)23(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H,29,30)(H,24,25,26,27)