4,4-bis[4-[(7-chloranylquinolin-2-yl)methoxy]phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4,4-bis[4-[(7-chloranylquinolin-2-yl)methoxy]phenyl]cyclohexane-1-carboxylic acid Openeye Name: 4,4-bis[4-[(7-chloro-2-quinolyl)methoxy]phenyl]cyclohexanecarboxylic acid CAS Name: 4,4-bis[4-[(7-chloro-2-quinolinyl)methoxy]phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4,4-bis[4-[(7-chloroquinolin-2-yl)methoxy]phenyl]cyclohexane-1-carboxylic acid Traditional Name: 4,4-bis[4-[(7-chloro-2-quinolyl)methoxy]phenyl]cyclohexanecarboxylic acid Formula: C39H32Cl2N2O4 MolecularWeight: 663.58838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)(C2=CC=C(C=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)C5=CC=C(C=C5)OCC6=NC7=C(C=CC(=C7)Cl)C=C6

Isomeric SMILES

C1CC(CCC1C(=O)O)(C2=CC=C(C=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)C5=CC=C(C=C5)OCC6=NC7=C(C=CC(=C7)Cl)C=C6

InChI

InChI=1S/C39H32Cl2N2O4/c40-30-9-1-25-3-11-32(42-36(25)21-30)23-46-34-13-5-28(6-14-34)39(19-17-27(18-20-39)38(44)45)29-7-15-35(16-8-29)47-24-33-12-4-26-2-10-31(41)22-37(26)43-33/h1-16,21-22,27H,17-20,23-24H2,(H,44,45)