2-[3,4-bis(phenylmethoxy)phenyl]-7-[3-(tert-butylamino)-2-oxidanyl-propoxy]chromen-4-one

Systemtic Name: 2-[3,4-bis(phenylmethoxy)phenyl]-7-[3-(tert-butylamino)-2-oxidanyl-propoxy]chromen-4-one Openeye Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-(3,4-dibenzyloxyphenyl)chromen-4-one CAS Name: 2-[3,4-bis(phenylmethoxy)phenyl]-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzopyran-4-one IUPAC Name: 2-[3,4-bis(phenylmethoxy)phenyl]-7-[3-(tert-butylamino)-2-hydroxypropoxy]chromen-4-one Traditional Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-(3,4-dibenzoxyphenyl)chromone Formula: C36H37NO6 MolecularWeight: 579.68208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C36H37NO6/c1-36(2,3)37-21-28(38)24-40-29-15-16-30-31(39)20-33(43-34(30)19-29)27-14-17-32(41-22-25-10-6-4-7-11-25)35(18-27)42-23-26-12-8-5-9-13-26/h4-20,28,37-38H,21-24H2,1-3H3