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

Systemtic Name: [1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-isopropylphenyl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 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] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-(p-cumenylcarbamoyl)propyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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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=CN3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C21H23N3O3/c1-4-19(20(25)24-16-8-5-14(6-9-16)13(2)3)27-21(26)15-7-10-17-18(11-15)23-12-22-17/h5-13,19H,4H2,1-3H3,(H,22,23)(H,24,25)