N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(3-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(3-methoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-2-(3-methoxyphenyl)cinchoninamide Formula: C37H46N2O3 MolecularWeight: 566.77274

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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=C4)OC)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=C4)OC)C(C)(C)CC

InChI

InChI=1S/C37H46N2O3/c1-8-36(3,4)27-19-20-34(31(24-27)37(5,6)9-2)42-22-13-12-21-38-35(40)30-25-33(26-15-14-16-28(23-26)41-7)39-32-18-11-10-17-29(30)32/h10-11,14-20,23-25H,8-9,12-13,21-22H2,1-7H3,(H,38,40)