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

Systemtic Name: methyl 4-[[3-[(2-aminophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate Openeye Name: methyl 4-[[3-[(2-aminophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate CAS Name: 4-[[3-[(2-aminophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-aminophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoate Traditional Name: 4-[[3-(2-aminobenzyl)imidazol-4-yl]methylamino]-2-phenyl-benzoic acid methyl ester Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=CC=C3N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=CC=C3N)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2/c1-31-25(30)22-12-11-20(13-23(22)18-7-3-2-4-8-18)28-15-21-14-27-17-29(21)16-19-9-5-6-10-24(19)26/h2-14,17,28H,15-16,26H2,1H3