N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-(3-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: 2-(3-chlorophenyl)-N-[4-(2,4-ditert-amylphenoxy)butyl]-3-methyl-cinchoninamide Formula: C37H45ClN2O2 MolecularWeight: 585.2184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C)C(C)(C)CC

InChI

InChI=1S/C37H45ClN2O2/c1-8-36(4,5)27-19-20-32(30(24-27)37(6,7)9-2)42-22-13-12-21-39-35(41)33-25(3)34(26-15-14-16-28(38)23-26)40-31-18-11-10-17-29(31)33/h10-11,14-20,23-24H,8-9,12-13,21-22H2,1-7H3,(H,39,41)