[1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: [1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: 1-[(2-bromophenyl)carbamoyl]propyl 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [1-(2-bromoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-bromoanilino)-1-oxobutan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid 1-[(2-bromophenyl)carbamoyl]propyl ester Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC=C(C=C2)C3=NC(=C(N3)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC=C(C=C2)C3=NC(=C(N3)C)C

InChI

InChI=1S/C22H22BrN3O3/c1-4-19(21(27)26-18-8-6-5-7-17(18)23)29-22(28)16-11-9-15(10-12-16)20-24-13(2)14(3)25-20/h5-12,19H,4H2,1-3H3,(H,24,25)(H,26,27)