6-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-(2-carboxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-(2-carboxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-(2-carboxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-(2-carboxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-(2-carboxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-[(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=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=C4C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=C4C(=O)O)CO)Cl

InChI

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