2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-(quinolin-2-ylmethoxy)chromen-4-one

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-(quinolin-2-ylmethoxy)chromen-4-one Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-(2-quinolylmethoxy)chromen-4-one CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-7-(2-quinolinylmethoxy)-1-benzopyran-4-one IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-7-(quinolin-2-ylmethoxy)chromen-4-one Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-(2-quinolylmethoxy)chromone Formula: C33H33NO4 MolecularWeight: 507.61942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H33NO4/c1-32(2,3)25-15-21(16-26(31(25)36)33(4,5)6)29-18-28(35)24-14-13-23(17-30(24)38-29)37-19-22-12-11-20-9-7-8-10-27(20)34-22/h7-18,36H,19H2,1-6H3