8-butan-2-yl-2-[1-(4-chlorophenyl)cyclopropyl]-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 8-butan-2-yl-2-[1-(4-chlorophenyl)cyclopropyl]-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-sec-butyl-quinoline-4-carboxylic acid CAS Name: 8-butan-2-yl-2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-4-quinolinecarboxylic acid IUPAC Name: 8-butan-2-yl-2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-sec-butyl-cinchoninic acid Formula: C23H22ClNO3 MolecularWeight: 395.87868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C23H22ClNO3/c1-3-13(2)16-5-4-6-17-18(22(27)28)20(26)21(25-19(16)17)23(11-12-23)14-7-9-15(24)10-8-14/h4-10,13,26H,3,11-12H2,1-2H3,(H,27,28)