ethyl 2-[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl-prop-2-ynyl-amino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl-prop-2-ynyl-amino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl-prop-2-ynyl-amino]phenyl]acetate CAS Name: 2-[4-[[3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl]methyl-prop-2-ynylamino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl-prop-2-ynylamino]phenyl]acetate Traditional Name: 2-[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl-propargyl-amino]phenyl]acetic acid ethyl ester Formula: C29H24F3N3O2 MolecularWeight: 503.51497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)N(CC#C)CC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)N(CC#C)CC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4

InChI

InChI=1S/C29H24F3N3O2/c1-3-16-35(23-13-10-20(11-14-23)17-27(36)37-4-2)19-26-28(21-8-6-5-7-9-21)34-24-15-12-22(29(30,31)32)18-25(24)33-26/h1,5-15,18H,4,16-17,19H2,2H3