3-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-(2-carboxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-(2-carboxyphenyl)quinoline-4-carboxylic acid Openeye Name: 3-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-(2-carboxyphenyl)quinoline-4-carboxylic acid CAS Name: 3-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-(2-carboxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-(2-carboxyphenyl)quinoline-4-carboxylic acid Traditional Name: 3-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-2-(2-carboxyphenyl)cinchoninic acid Formula: C26H24ClN3O5 MolecularWeight: 493.93886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4C(=O)O)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4C(=O)O)C(=O)O)CO)Cl

InChI

InChI=1S/C26H24ClN3O5/c1-2-3-12-21-29-24(27)20(14-31)30(21)13-18-22(26(34)35)17-10-6-7-11-19(17)28-23(18)15-8-4-5-9-16(15)25(32)33/h4-11,31H,2-3,12-14H2,1H3,(H,32,33)(H,34,35)