ethyl 3-[[2-[[(2-chloranyl-4-cyano-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(2-chloranyl-4-cyano-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(2-chloro-4-cyano-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(2-chloro-4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(2-chloro-4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(2-chloro-4-cyano-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C28H26ClN5O3 MolecularWeight: 515.99074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=C(C=C(C=C4)C#N)Cl)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=C(C=C(C=C4)C#N)Cl)C

InChI

InChI=1S/C28H26ClN5O3/c1-3-37-27(35)13-14-34(21-7-5-4-6-8-21)28(36)20-10-12-25-24(16-20)32-26(33(25)2)18-31-23-11-9-19(17-30)15-22(23)29/h4-12,15-16,31H,3,13-14,18H2,1-2H3