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

Systemtic Name: ethyl 3-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)propanoate CAS Name: 3-(N-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]oxycarbonylanilino)propanoate Traditional Name: 3-(N-[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)propionic acid ethyl ester Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(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/C29H28N4O4/c1-3-36-28(34)17-18-33(23-7-5-4-6-8-23)29(35)37-24-14-15-26-25(19-24)31-27(32(26)2)16-13-21-9-11-22(20-30)12-10-21/h4-12,14-15,19H,3,13,16-18H2,1-2H3