N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[4-(2,4-ditert-amyloxyphenyl)butyl]-2-(2-thienyl)cinchoninamide Formula: C34H42N2O3S MolecularWeight: 558.77388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)OC(C)(C)CC

Isomeric SMILES

CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)OC(C)(C)CC

InChI

InChI=1S/C34H42N2O3S/c1-7-33(3,4)38-25-19-18-24(30(22-25)39-34(5,6)8-2)14-11-12-20-35-32(37)27-23-29(31-17-13-21-40-31)36-28-16-10-9-15-26(27)28/h9-10,13,15-19,21-23H,7-8,11-12,14,20H2,1-6H3,(H,35,37)