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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(4-bromophenyl)quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-2-(4-bromophenyl)quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(4-bromophenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(4-bromophenyl)quinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-[4-(2,4-ditert-amyloxyphenyl)butyl]cinchoninamide Formula: C36H43BrN2O3 MolecularWeight: 631.64222

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

InChI

InChI=1S/C36H43BrN2O3/c1-7-35(3,4)41-28-21-18-26(33(23-28)42-36(5,6)8-2)13-11-12-22-38-34(40)30-24-32(25-16-19-27(37)20-17-25)39-31-15-10-9-14-29(30)31/h9-10,14-21,23-24H,7-8,11-13,22H2,1-6H3,(H,38,40)