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

Systemtic Name: tert-butyl 4-[[(3-cyanophenyl)amino]methyl]imidazole-1-carboxylate; ethanoic acid Openeye Name: acetic acid; tert-butyl 4-[(3-cyanoanilino)methyl]imidazole-1-carboxylate CAS Name: acetic acid; 4-[(3-cyanoanilino)methyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: acetic acid; tert-butyl 4-[(3-cyanoanilino)methyl]imidazole-1-carboxylate Traditional Name: acetic acid; 4-[(3-cyanoanilino)methyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2.C2H4O2/c1-16(2,3)22-15(21)20-10-14(19-11-20)9-18-13-6-4-5-12(7-13)8-17;1-2(3)4/h4-7,10-11,18H,9H2,1-3H3;1H3,(H,3,4)