ethyl 3,3-bis(fluoranyl)-4-[5-methyl-1-(triphenylmethyl)imidazol-4-yl]-4-oxidanyl-butanoate

Systemtic Name: ethyl 3,3-bis(fluoranyl)-4-[5-methyl-1-(triphenylmethyl)imidazol-4-yl]-4-oxidanyl-butanoate Openeye Name: ethyl 3,3-difluoro-4-hydroxy-4-(5-methyl-1-trityl-imidazol-4-yl)butanoate CAS Name: 3,3-difluoro-4-hydroxy-4-[5-methyl-1-(triphenylmethyl)-4-imidazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 3,3-difluoro-4-hydroxy-4-(5-methyl-1-tritylimidazol-4-yl)butanoate Traditional Name: 3,3-difluoro-4-hydroxy-4-(5-methyl-1-trityl-imidazol-4-yl)butyric acid ethyl ester Formula: C29H28F2N2O3 MolecularWeight: 490.541026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C1=C(N(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)O)(F)F

Isomeric SMILES

CCOC(=O)CC(C(C1=C(N(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)O)(F)F

InChI

InChI=1S/C29H28F2N2O3/c1-3-36-25(34)19-28(30,31)27(35)26-21(2)33(20-32-26)29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20,27,35H,3,19H2,1-2H3