ethyl 2-butyl-6-oxidanylidene-1-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]pyridine-4-carboxylate

Systemtic Name: ethyl 2-butyl-6-oxidanylidene-1-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]pyridine-4-carboxylate Openeye Name: ethyl 2-butyl-6-oxo-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-4-carboxylate CAS Name: 2-butyl-6-oxo-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-6-oxo-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-4-carboxylate Traditional Name: 2-butyl-6-keto-1-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]isonicotinic acid ethyl ester Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O3/c1-3-5-11-21-15-20(26(33)34-4-2)16-24(32)31(21)17-18-12-13-22(19-9-7-6-8-10-19)23(14-18)25-27-29-30-28-25/h6-10,12-16H,3-5,11,17H2,1-2H3,(H,27,28,29,30)