N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[4-(2,4-ditert-amyloxyphenyl)butyl]-2-(5-methyl-2-thienyl)cinchoninamide Formula: C35H44N2O3S MolecularWeight: 572.80046

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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=C(S4)C)OC(C)(C)CC

Isomeric SMILES

CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C)OC(C)(C)CC

InChI

InChI=1S/C35H44N2O3S/c1-8-34(4,5)39-26-19-18-25(31(22-26)40-35(6,7)9-2)14-12-13-21-36-33(38)28-23-30(32-20-17-24(3)41-32)37-29-16-11-10-15-27(28)29/h10-11,15-20,22-23H,8-9,12-14,21H2,1-7H3,(H,36,38)