(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl 2-(2-methoxycarbonylphenyl)quinoline-4-carboxylate

Systemtic Name: (2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl 2-(2-methoxycarbonylphenyl)quinoline-4-carboxylate Openeye Name: (2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl 2-(2-methoxycarbonylphenyl)quinoline-4-carboxylate CAS Name: 2-(2-methoxycarbonylphenyl)-4-quinolinecarboxylic acid (2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl ester IUPAC Name: (2-butyl-4-chloro-5-formylimidazol-1-yl)methyl 2-(2-methoxycarbonylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2-carbomethoxyphenyl)cinchoninic acid (2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl ester Formula: C27H24ClN3O5 MolecularWeight: 505.94956

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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)C=O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O5/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/h5-12,14-15H,3-4,13,16H2,1-2H3