[4-[7-(tert-butylperoxymethyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [4-[7-(tert-butylperoxymethyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenyl] 2,2-dimethylpropanoate Openeye Name: [4-[7-(tert-butylperoxymethyl)-4-methyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2H-chromen-3-yl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[7-(tert-butyldioxymethyl)-4-methyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2H-1-benzopyran-3-yl]phenyl] ester IUPAC Name: [4-[7-(tert-butylperoxymethyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[7-(tert-butylperoxymethyl)-4-methyl-2-[4-(2-piperidinoethoxy)phenyl]-2H-chromen-3-yl]phenyl] ester Formula: C39H49NO6 MolecularWeight: 627.80946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(OC2=C1C=CC(=C2)COOC(C)(C)C)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)OC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(OC2=C1C=CC(=C2)COOC(C)(C)C)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)OC(=O)C(C)(C)C

InChI

InChI=1S/C39H49NO6/c1-27-33-20-11-28(26-43-46-39(5,6)7)25-34(33)45-36(35(27)29-12-18-32(19-13-29)44-37(41)38(2,3)4)30-14-16-31(17-15-30)42-24-23-40-21-9-8-10-22-40/h11-20,25,36H,8-10,21-24,26H2,1-7H3