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

Systemtic Name: [1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-iodophenyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(4-iodoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-iodoanilino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-[(4-iodophenyl)carbamoyl]propyl ester Formula: C23H19IN4O3 MolecularWeight: 526.32643

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H19IN4O3/c1-2-20(22(29)26-17-8-6-16(24)7-9-17)31-23(30)14-5-10-18-19(12-14)28-21(27-18)15-4-3-11-25-13-15/h3-13,20H,2H2,1H3,(H,26,29)(H,27,28)