tert-butyl 4-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoate

Systemtic Name: tert-butyl 4-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoate Openeye Name: tert-butyl 4-(N-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butanoate CAS Name: 4-(N-[[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(N-[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)butanoate Traditional Name: 4-(N-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butyric acid tert-butyl ester Formula: C31H33N5O3 MolecularWeight: 523.62542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC(C)(C)OC(=O)CCCN(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/C31H33N5O3/c1-31(2,3)39-29(37)11-8-18-36(25-9-6-5-7-10-25)30(38)23-14-17-27-26(19-23)34-28(35(27)4)21-33-24-15-12-22(20-32)13-16-24/h5-7,9-10,12-17,19,33H,8,11,18,21H2,1-4H3