(4-chlorophenyl)methyl 3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanoate

Systemtic Name: (4-chlorophenyl)methyl 3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanoate Openeye Name: (4-chlorophenyl)methyl 3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanoate CAS Name: 3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanoate Traditional Name: 3-[4-(1H-imidazol-5-ylmethyl)phenyl]propionic acid (4-chlorobenzyl) ester Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)OCC2=CC=C(C=C2)Cl)CC3=CN=CN3

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)OCC2=CC=C(C=C2)Cl)CC3=CN=CN3

InChI

InChI=1S/C20H19ClN2O2/c21-18-8-5-17(6-9-18)13-25-20(24)10-7-15-1-3-16(4-2-15)11-19-12-22-14-23-19/h1-6,8-9,12,14H,7,10-11,13H2,(H,22,23)