[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl 2-(2-methoxycarbonylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl 2-(2-methoxycarbonylphenyl)quinoline-4-carboxylate Openeye Name: [2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl 2-(2-methoxycarbonylphenyl)quinoline-4-carboxylate CAS Name: 2-(2-methoxycarbonylphenyl)-4-quinolinecarboxylic acid [2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl ester IUPAC Name: [2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl 2-(2-methoxycarbonylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2-carbomethoxyphenyl)cinchoninic acid (2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl ester Formula: C27H26ClN3O5 MolecularWeight: 507.96544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4C(=O)OC)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4C(=O)OC)CO)Cl

InChI

InChI=1S/C27H26ClN3O5/c1-3-4-13-24-30-25(28)23(15-32)31(24)16-36-27(34)20-14-22(29-21-12-8-7-10-18(20)21)17-9-5-6-11-19(17)26(33)35-2/h5-12,14,32H,3-4,13,15-16H2,1-2H3