methyl 4-[[3-[(3-chlorophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate

Systemtic Name: methyl 4-[[3-[(3-chlorophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate Openeye Name: methyl 4-[[3-[(3-chlorophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate CAS Name: 4-[[3-[(3-chlorophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(3-chlorophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoate Traditional Name: 4-[[3-(3-chlorobenzyl)imidazol-4-yl]methylamino]-2-phenyl-benzoic acid methyl ester Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O2/c1-31-25(30)23-11-10-21(13-24(23)19-7-3-2-4-8-19)28-15-22-14-27-17-29(22)16-18-6-5-9-20(26)12-18/h2-14,17,28H,15-16H2,1H3