ethyl 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-4,4,4-tris(fluoranyl)butanoate

Systemtic Name: ethyl 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-4,4,4-tris(fluoranyl)butanoate Openeye Name: ethyl 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-4,4,4-trifluoro-butanoate CAS Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-4,4,4-trifluorobutanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-4,4,4-trifluorobutanoate Traditional Name: 3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-4,4,4-trifluoro-butyric acid ethyl ester Formula: C23H23BrF3NO3 MolecularWeight: 498.33283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Br)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC(C1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Br)C)C(F)(F)F

InChI

InChI=1S/C23H23BrF3NO3/c1-4-31-21(29)12-19(23(25,26)27)22-14(2)28(13-15-5-7-16(24)8-6-15)20-10-9-17(30-3)11-18(20)22/h5-11,19H,4,12-13H2,1-3H3