[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl 2-quinolin-2-ylbenzoate

Systemtic Name: [2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl 2-quinolin-2-ylbenzoate Openeye Name: [2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl 2-(2-quinolyl)benzoate CAS Name: 2-(2-quinolinyl)benzoic acid [2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl ester IUPAC Name: [2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl 2-quinolin-2-ylbenzoate Traditional Name: 2-(2-quinolyl)benzoic acid (2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl ester Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4C=C3)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4C=C3)CO)Cl

InChI

InChI=1S/C25H24ClN3O3/c1-2-3-12-23-28-24(26)22(15-30)29(23)16-32-25(31)19-10-6-5-9-18(19)21-14-13-17-8-4-7-11-20(17)27-21/h4-11,13-14,30H,2-3,12,15-16H2,1H3