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

Systemtic Name: [1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-isopropylphenyl)carbamoyl]propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-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-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-(p-cumenylcarbamoyl)propyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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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=CC=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=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-4-24(26(31)28-21-13-10-18(11-14-21)17(2)3)33-27(32)20-12-15-22-23(16-20)30-25(29-22)19-8-6-5-7-9-19/h5-17,24H,4H2,1-3H3,(H,28,31)(H,29,30)