ethyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetate CAS Name: 2-(N-[[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetate Traditional Name: 2-(N-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid ethyl ester Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O3/c1-3-35-26(33)18-32(22-7-5-4-6-8-22)27(34)20-11-14-24-23(15-20)30-25(31(24)2)17-29-21-12-9-19(16-28)10-13-21/h4-15,29H,3,17-18H2,1-2H3