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

Systemtic Name: 4-[(2-butyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]indole-3-carboxylic acid Openeye Name: 4-[(2-butyl-4-oxo-quinazolin-3-yl)methyl]-1-[2-(2H-tetrazol-5-yl)phenyl]indole-3-carboxylic acid CAS Name: 4-[(2-butyl-4-oxo-3-quinazolinyl)methyl]-1-[2-(2H-tetrazol-5-yl)phenyl]-3-indolecarboxylic acid IUPAC Name: 4-[(2-butyl-4-oxoquinazolin-3-yl)methyl]-1-[2-(2H-tetrazol-5-yl)phenyl]indole-3-carboxylic acid Traditional Name: 4-[(2-butyl-4-keto-quinazolin-3-yl)methyl]-1-[2-(2H-tetrazol-5-yl)phenyl]indole-3-carboxylic acid Formula: C29H25N7O3 MolecularWeight: 519.5539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=O)N1CC3=C4C(=CC=C3)N(C=C4C(=O)O)C5=CC=CC=C5C6=NNN=N6

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=O)N1CC3=C4C(=CC=C3)N(C=C4C(=O)O)C5=CC=CC=C5C6=NNN=N6

InChI

InChI=1S/C29H25N7O3/c1-2-3-15-25-30-22-12-6-4-10-19(22)28(37)36(25)16-18-9-8-14-24-26(18)21(29(38)39)17-35(24)23-13-7-5-11-20(23)27-31-33-34-32-27/h4-14,17H,2-3,15-16H2,1H3,(H,38,39)(H,31,32,33,34)