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

Systemtic Name: ethyl 3-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-cyclopentyl-amino]propanoate Openeye Name: ethyl 3-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-cyclopentyl-amino]propanoate CAS Name: 3-[[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-cyclopentylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-cyclopentylamino]propanoate Traditional Name: 3-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-cyclopentyl-amino]propionic acid ethyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CCCC1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1CCCC1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C28H32N4O4/c1-3-35-27(33)16-17-32(22-6-4-5-7-22)28(34)36-23-13-14-25-24(18-23)30-26(31(25)2)15-12-20-8-10-21(19-29)11-9-20/h8-11,13-14,18,22H,3-7,12,15-17H2,1-2H3