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

Systemtic Name: [1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-isopropylphenyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-oxo-1-(4-propan-2-ylanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propan-2-ylanilino)butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-(p-cumenylcarbamoyl)propyl ester Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c1-4-23(25(31)28-20-10-7-17(8-11-20)16(2)3)33-26(32)18-9-12-21-22(14-18)30-24(29-21)19-6-5-13-27-15-19/h5-16,23H,4H2,1-3H3,(H,28,31)(H,29,30)