[3-[(4-chlorophenyl)methoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] benzoate

Systemtic Name: [3-[(4-chlorophenyl)methoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] benzoate Openeye Name: [3-[(4-chlorophenyl)methoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] benzoate CAS Name: benzoic acid [3-[(4-chlorophenyl)methoxy-oxomethyl]-2-[(3-methyl-4-imidazolyl)methyl]pentyl] ester IUPAC Name: [3-[(4-chlorophenyl)methoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] benzoate Traditional Name: benzoic acid [3-(4-chlorobenzyl)oxycarbonyl-2-[(3-methylimidazol-4-yl)methyl]pentyl] ester Formula: C25H27ClN2O4 MolecularWeight: 454.94588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=CN=CN1C)COC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(CC1=CN=CN1C)COC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H27ClN2O4/c1-3-23(25(30)31-15-18-9-11-21(26)12-10-18)20(13-22-14-27-17-28(22)2)16-32-24(29)19-7-5-4-6-8-19/h4-12,14,17,20,23H,3,13,15-16H2,1-2H3