[1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(2-bromophenyl)carbamoyl]propyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [1-(2-bromoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-bromoanilino)-1-oxobutan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid 1-[(2-bromophenyl)carbamoyl]propyl ester Formula: C25H22BrN3O4 MolecularWeight: 508.36388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22BrN3O4/c1-3-22(24(30)29-19-7-5-4-6-18(19)26)33-25(31)16-10-13-20-21(14-16)28-23(27-20)15-8-11-17(32-2)12-9-15/h4-14,22H,3H2,1-2H3,(H,27,28)(H,29,30)