methyl 2-(cyclohexylcarbonylamino)-3-[2-fluoranyl-1-(triphenylmethyl)imidazol-4-yl]propanoate

Systemtic Name: methyl 2-(cyclohexylcarbonylamino)-3-[2-fluoranyl-1-(triphenylmethyl)imidazol-4-yl]propanoate Openeye Name: methyl 2-(cyclohexanecarbonylamino)-3-(2-fluoro-1-trityl-imidazol-4-yl)propanoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-3-[2-fluoro-1-(triphenylmethyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-(cyclohexanecarbonylamino)-3-(2-fluoro-1-tritylimidazol-4-yl)propanoate Traditional Name: 2-(cyclohexanecarbonylamino)-3-(2-fluoro-1-trityl-imidazol-4-yl)propionic acid methyl ester Formula: C33H34FN3O3 MolecularWeight: 539.639763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C(=N1)F)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5CCCCC5

Isomeric SMILES

COC(=O)C(CC1=CN(C(=N1)F)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5CCCCC5

InChI

InChI=1S/C33H34FN3O3/c1-40-31(39)29(36-30(38)24-14-6-2-7-15-24)22-28-23-37(32(34)35-28)33(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h3-5,8-13,16-21,23-24,29H,2,6-7,14-15,22H2,1H3,(H,36,38)