6-bromanyl-2-[(E)-2-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-[5-[(1R,2S)-2-methylcyclopropyl]-2-furanyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]vinyl]cinchoninate Formula: C20H15BrNO3- MolecularWeight: 397.242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C2=CC=C(O2)C=CC3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

Isomeric SMILES

C[C@H]1C[C@H]1C2=CC=C(O2)/C=C/C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

InChI

InChI=1S/C20H16BrNO3/c1-11-8-15(11)19-7-5-14(25-19)4-3-13-10-17(20(23)24)16-9-12(21)2-6-18(16)22-13/h2-7,9-11,15H,8H2,1H3,(H,23,24)/p-1/b4-3+/t11-,15+/m0/s1