[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(2-oxo-3-propyl-benzimidazol-1-yl)acetate CAS Name: 2-(2-oxo-3-propyl-1-benzimidazolyl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-keto-3-propyl-benzimidazol-1-yl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C25H28N4O4/c1-4-11-28-21-8-5-6-9-22(21)29(25(28)32)16-24(31)33-17-23(30)27(12-7-10-26)20-14-18(2)13-19(3)15-20/h5-6,8-9,13-15H,4,7,11-12,16-17H2,1-3H3