6-butan-2-yl-1-methyl-3-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-4H-quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-1-methyl-3-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-4H-quinoline-4-carboxylic acid Openeye Name: 1-methyl-3-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-6-sec-butyl-4H-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-1-methyl-3-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-4H-quinoline-4-carboxylic acid IUPAC Name: 6-butan-2-yl-1-methyl-3-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-4H-quinoline-4-carboxylic acid Traditional Name: 1-methyl-3-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-6-sec-butyl-4H-quinoline-4-carboxylic acid Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)N(C=C(C2C(=O)O)C3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)N(C=C(C2C(=O)O)C3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C

InChI

InChI=1S/C28H27N5O2/c1-4-17(2)19-11-13-25-23(14-19)26(28(34)35)24(16-33(25)3)20-10-12-21(18-8-6-5-7-9-18)22(15-20)27-29-31-32-30-27/h5-17,26H,4H2,1-3H3,(H,34,35)(H,29,30,31,32)