tert-butyl 4-acetamido-3-[2-azanyl-4-(4-chlorophenyl)imidazol-1-yl]benzoate

Systemtic Name: tert-butyl 4-acetamido-3-[2-azanyl-4-(4-chlorophenyl)imidazol-1-yl]benzoate Openeye Name: tert-butyl 4-acetamido-3-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]benzoate CAS Name: 4-acetamido-3-[2-amino-4-(4-chlorophenyl)-1-imidazolyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetamido-3-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]benzoate Traditional Name: 4-acetamido-3-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]benzoic acid tert-butyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)N2C=C(N=C2N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)N2C=C(N=C2N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN4O3/c1-13(28)25-17-10-7-15(20(29)30-22(2,3)4)11-19(17)27-12-18(26-21(27)24)14-5-8-16(23)9-6-14/h5-12H,1-4H3,(H2,24,26)(H,25,28)