ethyl (2R)-2-[3-(2-acetamido-5-bromanyl-phenyl)quinoxalin-2-yl]oxy-2-phenyl-ethanoate

Systemtic Name: ethyl (2R)-2-[3-(2-acetamido-5-bromanyl-phenyl)quinoxalin-2-yl]oxy-2-phenyl-ethanoate Openeye Name: ethyl (2R)-2-[3-(2-acetamido-5-bromo-phenyl)quinoxalin-2-yl]oxy-2-phenyl-acetate CAS Name: (2R)-2-[[3-(2-acetamido-5-bromophenyl)-2-quinoxalinyl]oxy]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3-(2-acetamido-5-bromophenyl)quinoxalin-2-yl]oxy-2-phenylacetate Traditional Name: (2R)-2-[3-(2-acetamido-5-bromo-phenyl)quinoxalin-2-yl]oxy-2-phenyl-acetic acid ethyl ester Formula: C26H22BrN3O4 MolecularWeight: 520.37458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)OC2=NC3=CC=CC=C3N=C2C4=C(C=CC(=C4)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=CC=C1)OC2=NC3=CC=CC=C3N=C2C4=C(C=CC(=C4)Br)NC(=O)C

InChI

InChI=1S/C26H22BrN3O4/c1-3-33-26(32)24(17-9-5-4-6-10-17)34-25-23(29-21-11-7-8-12-22(21)30-25)19-15-18(27)13-14-20(19)28-16(2)31/h4-15,24H,3H2,1-2H3,(H,28,31)/t24-/m1/s1