2-[5-(4-bromophenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(4-bromophenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-(4-bromophenyl)-2-furyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[5-(4-bromophenyl)-2-furanyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(4-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[5-(4-bromophenyl)-2-furyl]-6-methyl-cinchoninic acid Formula: C21H14BrNO3 MolecularWeight: 408.24476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrNO3/c1-12-2-7-17-15(10-12)16(21(24)25)11-18(23-17)20-9-8-19(26-20)13-3-5-14(22)6-4-13/h2-11H,1H3,(H,24,25)