[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(2,5-dimethylphenyl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(2,5-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(2,5-dimethylphenyl)carbamoyl]propyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-4-18(19(24)23-16-9-12(2)5-6-13(16)3)26-20(25)14-7-8-15-17(10-14)22-11-21-15/h5-11,18H,4H2,1-3H3,(H,21,22)(H,23,24)