ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]acetate CAS Name: 2-[[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(2-pyridinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]acetic acid ethyl ester Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=N1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=N1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H25N5O4/c1-3-35-26(33)18-32(24-6-4-5-15-29-24)27(34)36-21-12-13-23-22(16-21)30-25(31(23)2)14-11-19-7-9-20(17-28)10-8-19/h4-10,12-13,15-16H,3,11,14,18H2,1-2H3