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

Systemtic Name: [1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-iodophenyl)carbamoyl]propyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [1-(4-iodoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-iodoanilino)-1-oxobutan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid 1-[(4-iodophenyl)carbamoyl]propyl ester Formula: C25H22IN3O4 MolecularWeight: 555.36435

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22IN3O4/c1-3-22(24(30)27-18-9-7-17(26)8-10-18)33-25(31)16-6-13-20-21(14-16)29-23(28-20)15-4-11-19(32-2)12-5-15/h4-14,22H,3H2,1-2H3,(H,27,30)(H,28,29)