1-methyl-2-oxidanylidene-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 1-methyl-2-oxidanylidene-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]quinoline-4-carboxylic acid Openeye Name: 1-methyl-2-oxo-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]quinoline-4-carboxylic acid CAS Name: 1-methyl-2-oxo-3-[4-[(2-propyl-1-benzimidazolyl)methyl]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 1-methyl-2-oxo-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-keto-1-methyl-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cinchoninic acid Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=C(C5=CC=CC=C5N(C4=O)C)C(=O)O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=C(C5=CC=CC=C5N(C4=O)C)C(=O)O

InChI

InChI=1S/C28H25N3O3/c1-3-8-24-29-21-10-5-7-12-23(21)31(24)17-18-13-15-19(16-14-18)25-26(28(33)34)20-9-4-6-11-22(20)30(2)27(25)32/h4-7,9-16H,3,8,17H2,1-2H3,(H,33,34)