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

Systemtic Name: ethyl 3-[[2-[[butyl-(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(N-butyl-4-cyano-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(N-butyl-4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(N-butyl-4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(N-butyl-4-cyano-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C32H35N5O3 MolecularWeight: 537.652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC2=C(N1C)C=CC(=C2)C(=O)N(CCC(=O)OCC)C3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCN(CC1=NC2=C(N1C)C=CC(=C2)C(=O)N(CCC(=O)OCC)C3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C32H35N5O3/c1-4-6-19-36(26-15-12-24(22-33)13-16-26)23-30-34-28-21-25(14-17-29(28)35(30)3)32(39)37(20-18-31(38)40-5-2)27-10-8-7-9-11-27/h7-17,21H,4-6,18-20,23H2,1-3H3