2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-[3-(dimethylamino)propoxy]chromen-4-one

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-[3-(dimethylamino)propoxy]chromen-4-one Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-[3-(dimethylamino)propoxy]chromen-4-one CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-7-[3-(dimethylamino)propoxy]-1-benzopyran-4-one IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-7-[3-(dimethylamino)propoxy]chromen-4-one Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-7-[3-(dimethylamino)propoxy]chromone Formula: C28H37NO4 MolecularWeight: 451.59768

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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)OCCCN(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCN(C)C

InChI

InChI=1S/C28H37NO4/c1-27(2,3)21-14-18(15-22(26(21)31)28(4,5)6)24-17-23(30)20-11-10-19(16-25(20)33-24)32-13-9-12-29(7)8/h10-11,14-17,31H,9,12-13H2,1-8H3