5,5-dimethyl-8-[[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl]oxy]octan-4-one

Systemtic Name: 5,5-dimethyl-8-[[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl]oxy]octan-4-one Openeye Name: 5,5-dimethyl-8-[[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl]oxy]octan-4-one CAS Name: 5,5-dimethyl-8-[[3-(1-methyl-2-imidazolyl)-2-phenethyl-2H-1-benzopyran-6-yl]oxy]-4-octanone IUPAC Name: 5,5-dimethyl-8-[[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl]oxy]octan-4-one Traditional Name: 5,5-dimethyl-8-[[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl]oxy]octan-4-one Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C)(C)CCCOC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CCC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)C(C)(C)CCCOC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CCC4=CC=CC=C4

InChI

InChI=1S/C31H38N2O3/c1-5-10-29(34)31(2,3)17-9-20-35-25-14-16-27-24(21-25)22-26(30-32-18-19-33(30)4)28(36-27)15-13-23-11-7-6-8-12-23/h6-8,11-12,14,16,18-19,21-22,28H,5,9-10,13,15,17,20H2,1-4H3