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

Systemtic Name: [1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3,4-dimethylphenyl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(3,4-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3,4-dimethylanilino)-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(3,4-dimethylphenyl)carbamoyl]propyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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