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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-methylquinoline-4-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-2-methyl-cinchoninamide Formula: C31H42N2O2 MolecularWeight: 474.67738

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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)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=CC=CC=C32)C)C(C)(C)CC

InChI

InChI=1S/C31H42N2O2/c1-8-30(4,5)23-16-17-28(26(21-23)31(6,7)9-2)35-19-13-12-18-32-29(34)25-20-22(3)33-27-15-11-10-14-24(25)27/h10-11,14-17,20-21H,8-9,12-13,18-19H2,1-7H3,(H,32,34)