ethyl 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-3-methyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-3-methyl-imidazole-4-carboxylate Openeye Name: ethyl 2-[(2-benzyloxy-5-bromo-phenyl)methylamino]-3-methyl-imidazole-4-carboxylate CAS Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-methyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-methylimidazole-4-carboxylate Traditional Name: 2-[(2-benzoxy-5-bromo-benzyl)amino]-3-methyl-imidazole-4-carboxylic acid ethyl ester Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N1C)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N1C)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O3/c1-3-27-20(26)18-13-24-21(25(18)2)23-12-16-11-17(22)9-10-19(16)28-14-15-7-5-4-6-8-15/h4-11,13H,3,12,14H2,1-2H3,(H,23,24)