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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2-(o-tolyl)quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-2-(o-tolyl)cinchoninamide Formula: C37H46N2O2 MolecularWeight: 550.77334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4C)C(C)(C)CC

InChI

InChI=1S/C37H46N2O2/c1-8-36(4,5)27-20-21-34(31(24-27)37(6,7)9-2)41-23-15-14-22-38-35(40)30-25-33(28-17-11-10-16-26(28)3)39-32-19-13-12-18-29(30)32/h10-13,16-21,24-25H,8-9,14-15,22-23H2,1-7H3,(H,38,40)