tert-butyl 4-[[(3-cyanophenyl)amino]methyl]imidazole-1-carboxylate; (phenylmethyl) ethanoate

Systemtic Name: tert-butyl 4-[[(3-cyanophenyl)amino]methyl]imidazole-1-carboxylate; (phenylmethyl) ethanoate Openeye Name: benzyl acetate; tert-butyl 4-[(3-cyanoanilino)methyl]imidazole-1-carboxylate CAS Name: acetic acid (phenylmethyl) ester; 4-[(3-cyanoanilino)methyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: benzyl acetate; tert-butyl 4-[(3-cyanoanilino)methyl]imidazole-1-carboxylate Traditional Name: acetic acid benzyl ester; 4-[(3-cyanoanilino)methyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC=C1.CC(C)(C)OC(=O)N1C=C(N=C1)CNC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)OCC1=CC=CC=C1.CC(C)(C)OC(=O)N1C=C(N=C1)CNC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H18N4O2.C9H10O2/c1-16(2,3)22-15(21)20-10-14(19-11-20)9-18-13-6-4-5-12(7-13)8-17;1-8(10)11-7-9-5-3-2-4-6-9/h4-7,10-11,18H,9H2,1-3H3;2-6H,7H2,1H3