ethyl 4-[5-fluoranyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]butanoate

Systemtic Name: ethyl 4-[5-fluoranyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]butanoate Openeye Name: ethyl 4-[5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]butanoate CAS Name: 4-[5-fluoro-1-[[4-(1-imidazolyl)phenyl]methyl]-3-methyl-2-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylindol-2-yl]butanoate Traditional Name: 4-[5-fluoro-1-(4-imidazol-1-ylbenzyl)-3-methyl-indol-2-yl]butyric acid ethyl ester Formula: C25H26FN3O2 MolecularWeight: 419.491243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C(C2=C(N1CC3=CC=C(C=C3)N4C=CN=C4)C=CC(=C2)F)C

Isomeric SMILES

CCOC(=O)CCCC1=C(C2=C(N1CC3=CC=C(C=C3)N4C=CN=C4)C=CC(=C2)F)C

InChI

InChI=1S/C25H26FN3O2/c1-3-31-25(30)6-4-5-23-18(2)22-15-20(26)9-12-24(22)29(23)16-19-7-10-21(11-8-19)28-14-13-27-17-28/h7-15,17H,3-6,16H2,1-2H3