ethyl 4-[3-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate

Systemtic Name: ethyl 4-[3-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate Openeye Name: ethyl 4-[3-[5-(3-pyridylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate CAS Name: 4-[3-[5-[oxo-(3-pyridinylmethylamino)methyl]-1-benzimidazolyl]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate Traditional Name: 4-[3-[5-(3-pyridylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoic acid ethyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)OCC)OC1=CC=CC(=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCC(CCC(=O)OCC)OC1=CC=CC(=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C28H30N4O4/c1-3-23(11-13-27(33)35-4-2)36-24-9-5-8-22(16-24)32-19-31-25-15-21(10-12-26(25)32)28(34)30-18-20-7-6-14-29-17-20/h5-10,12,14-17,19,23H,3-4,11,13,18H2,1-2H3,(H,30,34)