2-[1-(4-chlorophenyl)cyclopropyl]-7-ethyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[1-(4-chlorophenyl)cyclopropyl]-7-ethyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-[1-(4-chlorophenyl)cyclopropyl]-7-ethyl-3-hydroxy-quinoline-4-carboxylic acid CAS Name: 2-[1-(4-chlorophenyl)cyclopropyl]-7-ethyl-3-hydroxy-4-quinolinecarboxylic acid IUPAC Name: 2-[1-(4-chlorophenyl)cyclopropyl]-7-ethyl-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 2-[1-(4-chlorophenyl)cyclopropyl]-7-ethyl-3-hydroxy-cinchoninic acid Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)C3(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)C3(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClNO3/c1-2-12-3-8-15-16(11-12)23-19(18(24)17(15)20(25)26)21(9-10-21)13-4-6-14(22)7-5-13/h3-8,11,24H,2,9-10H2,1H3,(H,25,26)