methyl 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]benzoate

Systemtic Name: methyl 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]benzoate Openeye Name: methyl 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]benzoate CAS Name: 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenylphenyl]benzoate Traditional Name: 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]benzoic acid methyl ester Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NCC3=CN=CN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NCC3=CN=CN3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2/c1-29-24(28)19-9-5-8-18(12-19)22-11-10-20(26-15-21-14-25-16-27-21)13-23(22)17-6-3-2-4-7-17/h2-14,16,26H,15H2,1H3,(H,25,27)