[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCN2C3=CC=CC=C3N(C2=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCN2C3=CC=CC=C3N(C2=O)C

InChI

InChI=1S/C20H20BrN3O4/c1-13(19(26)22-15-9-7-14(21)8-10-15)28-18(25)11-12-24-17-6-4-3-5-16(17)23(2)20(24)27/h3-10,13H,11-12H2,1-2H3,(H,22,26)