ethyl 3-[[3-[butylamino-(4-cyanophenyl)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[3-[butylamino-(4-cyanophenyl)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-[N-[[3-[butylamino-(4-cyanophenyl)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl]anilino]propanoate CAS Name: 3-(N-[[3-[butylamino-(4-cyanophenyl)methyl]-1-methyl-2H-benzimidazol-5-yl]oxy-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[N-[[3-[butylamino-(4-cyanophenyl)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl]anilino]propanoate Traditional Name: 3-[N-[[3-[butylamino-(4-cyanophenyl)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl]anilino]propionic acid ethyl ester Formula: C32H37N5O4 MolecularWeight: 555.66728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=CC=C(C=C1)C#N)N2CN(C3=C2C=C(C=C3)OC(=O)N(CCC(=O)OCC)C4=CC=CC=C4)C

Isomeric SMILES

CCCCNC(C1=CC=C(C=C1)C#N)N2CN(C3=C2C=C(C=C3)OC(=O)N(CCC(=O)OCC)C4=CC=CC=C4)C

InChI

InChI=1S/C32H37N5O4/c1-4-6-19-34-31(25-14-12-24(22-33)13-15-25)37-23-35(3)28-17-16-27(21-29(28)37)41-32(39)36(20-18-30(38)40-5-2)26-10-8-7-9-11-26/h7-17,21,31,34H,4-6,18-20,23H2,1-3H3