6-bromanyl-2-[(E)-4-methylpent-1-enyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-4-methylpent-1-enyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-4-methylpent-1-enyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-4-methylpent-1-enyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-4-methylpent-1-enyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-4-methylpent-1-enyl]cinchoninic acid Formula: C16H16BrNO2 MolecularWeight: 334.20774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC=CC1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)O

Isomeric SMILES

CC(C)C/C=C/C1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)O

InChI

InChI=1S/C16H16BrNO2/c1-10(2)4-3-5-12-9-14(16(19)20)13-8-11(17)6-7-15(13)18-12/h3,5-10H,4H2,1-2H3,(H,19,20)/b5-3+