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

Systemtic Name: 1-butyl-2-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]indole-3-carboxylic acid CAS Name: 1-butyl-2-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]indole-3-carboxylic acid Traditional Name: 1-butyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]indole-3-carboxylic acid Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1CC3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1CC3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C(=O)O

InChI

InChI=1S/C27H25N5O2/c1-2-3-15-32-23-12-8-7-11-21(23)25(27(33)34)24(32)17-18-13-14-20(19-9-5-4-6-10-19)22(16-18)26-28-30-31-29-26/h4-14,16H,2-3,15,17H2,1H3,(H,33,34)(H,28,29,30,31)