6-bromanyl-2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]vinyl]cinchoninic acid Formula: C23H20BrNO4 MolecularWeight: 454.3132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O)O[C@H](C2)C

InChI

InChI=1S/C23H20BrNO4/c1-3-28-21-10-15-8-13(2)29-22(15)9-14(21)4-6-17-12-19(23(26)27)18-11-16(24)5-7-20(18)25-17/h4-7,9-13H,3,8H2,1-2H3,(H,26,27)/b6-4+/t13-/m0/s1