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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-methyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-6-methyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-methyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-methyl-2-phenylquinoline-4-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-6-methyl-2-phenyl-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=C2C=C(C=C3)C)C4=CC=CC=C4)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4)C(C)(C)CC

InChI

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