6-bromanyl-2-[(E)-2-cyclohexylethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-cyclohexylethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-cyclohexylvinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-cyclohexylethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-cyclohexylethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-cyclohexylvinyl]cinchoninate Formula: C18H17BrNO2- MolecularWeight: 359.23708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C18H18BrNO2/c19-13-7-9-17-15(10-13)16(18(21)22)11-14(20-17)8-6-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22)/p-1/b8-6+