(phenylmethyl) 3-[1-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-5-fluoranyl-benzimidazol-2-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[1-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-5-fluoranyl-benzimidazol-2-yl]propanoate Openeye Name: benzyl 3-[1-[2-(dicyclohexylamino)-2-oxo-ethyl]-5-fluoro-benzimidazol-2-yl]propanoate CAS Name: 3-[1-[2-(dicyclohexylamino)-2-oxoethyl]-5-fluoro-2-benzimidazolyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[1-[2-(dicyclohexylamino)-2-oxoethyl]-5-fluorobenzimidazol-2-yl]propanoate Traditional Name: 3-[1-[2-(dicyclohexylamino)-2-keto-ethyl]-5-fluoro-benzimidazol-2-yl]propionic acid benzyl ester Formula: C31H38FN3O3 MolecularWeight: 519.650123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C4=C(C=C(C=C4)F)N=C3CCC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C4=C(C=C(C=C4)F)N=C3CCC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H38FN3O3/c32-24-16-17-28-27(20-24)33-29(18-19-31(37)38-22-23-10-4-1-5-11-23)34(28)21-30(36)35(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,16-17,20,25-26H,2-3,6-9,12-15,18-19,21-22H2