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

Systemtic Name: tert-butyl 4-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]butanoate Openeye Name: tert-butyl 4-(N-[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)butanoate CAS Name: 4-(N-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]anilino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(N-[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]oxycarbonylanilino)butanoate Traditional Name: 4-(N-[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)butyric acid tert-butyl ester Formula: C32H34N4O4 MolecularWeight: 538.63676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC(C)(C)OC(=O)CCCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C32H34N4O4/c1-32(2,3)40-30(37)11-8-20-36(25-9-6-5-7-10-25)31(38)39-26-17-18-28-27(21-26)34-29(35(28)4)19-16-23-12-14-24(22-33)15-13-23/h5-7,9-10,12-15,17-18,21H,8,11,16,19-20H2,1-4H3