[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3N(C2=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3N(C2=O)C)Br

InChI

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