3-butanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-butanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-butanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid CAS Name: 3-(1-oxobutoxy)-2-(4-phenylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-butanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-butyryloxy-2-(4-phenylphenyl)cinchoninic acid Formula: C26H21NO4 MolecularWeight: 411.44924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC(=O)OC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H21NO4/c1-2-8-22(28)31-25-23(26(29)30)20-11-6-7-12-21(20)27-24(25)19-15-13-18(14-16-19)17-9-4-3-5-10-17/h3-7,9-16H,2,8H2,1H3,(H,29,30)