N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(3-bromophenyl)quinoline-4-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(3-bromophenyl)quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-2-(3-bromophenyl)quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(3-bromophenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-(3-bromophenyl)quinoline-4-carboxamide Traditional Name: 2-(3-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(=CC=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(=CC=C4)Br)OC(C)(C)CC

InChI

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