N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-fluoranyl-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-fluoranyl-2-methyl-quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-6-fluoro-2-methyl-quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-fluoro-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-fluoro-2-methylquinoline-4-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-6-fluoro-2-methyl-cinchoninamide Formula: C31H41FN2O2 MolecularWeight: 492.667843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C)C(C)(C)CC

InChI

InChI=1S/C31H41FN2O2/c1-8-30(4,5)22-12-15-28(26(19-22)31(6,7)9-2)36-17-11-10-16-33-29(35)25-18-21(3)34-27-14-13-23(32)20-24(25)27/h12-15,18-20H,8-11,16-17H2,1-7H3,(H,33,35)