ethyl 3-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-4-carboxylate

Systemtic Name: ethyl 3-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-4-carboxylate Openeye Name: ethyl 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-4-carboxylate CAS Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-4-carboxylate Traditional Name: 3-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]isonicotinic acid ethyl ester Formula: C23H26ClN3O3 MolecularWeight: 427.92384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(C=CN=C3)C(=O)OCC)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(C=CN=C3)C(=O)OCC)CO)Cl

InChI

InChI=1S/C23H26ClN3O3/c1-3-5-6-21-26-22(24)20(15-28)27(21)14-16-7-9-17(10-8-16)19-13-25-12-11-18(19)23(29)30-4-2/h7-13,28H,3-6,14-15H2,1-2H3