2-[5-(4-butan-2-ylphenyl)furan-2-yl]-6-chloranyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(4-butan-2-ylphenyl)furan-2-yl]-6-chloranyl-quinoline-4-carboxylic acid Openeye Name: 6-chloro-2-[5-(4-sec-butylphenyl)-2-furyl]quinoline-4-carboxylic acid CAS Name: 2-[5-(4-butan-2-ylphenyl)-2-furanyl]-6-chloro-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(4-butan-2-ylphenyl)furan-2-yl]-6-chloroquinoline-4-carboxylic acid Traditional Name: 6-chloro-2-[5-(4-sec-butylphenyl)-2-furyl]cinchoninic acid Formula: C24H20ClNO3 MolecularWeight: 405.8735

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O

InChI

InChI=1S/C24H20ClNO3/c1-3-14(2)15-4-6-16(7-5-15)22-10-11-23(29-22)21-13-19(24(27)28)18-12-17(25)8-9-20(18)26-21/h4-14H,3H2,1-2H3,(H,27,28)