6-[5-(1,3-benzoxazol-2-yl)hexan-2-yl]-2-methyl-2-octyl-3H-inden-1-one

Systemtic Name: 6-[5-(1,3-benzoxazol-2-yl)hexan-2-yl]-2-methyl-2-octyl-3H-inden-1-one Openeye Name: 6-[4-(1,3-benzoxazol-2-yl)-1-methyl-pentyl]-2-methyl-2-octyl-indan-1-one CAS Name: 6-[5-(1,3-benzoxazol-2-yl)hexan-2-yl]-2-methyl-2-octyl-3H-inden-1-one IUPAC Name: 6-[5-(1,3-benzoxazol-2-yl)hexan-2-yl]-2-methyl-2-octyl-3H-inden-1-one Traditional Name: 6-[4-(1,3-benzoxazol-2-yl)-1-methyl-pentyl]-2-methyl-2-octyl-indan-1-one Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CC2=C(C1=O)C=C(C=C2)C(C)CCC(C)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CCCCCCCCC1(CC2=C(C1=O)C=C(C=C2)C(C)CCC(C)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C31H41NO2/c1-5-6-7-8-9-12-19-31(4)21-25-18-17-24(20-26(25)29(31)33)22(2)15-16-23(3)30-32-27-13-10-11-14-28(27)34-30/h10-11,13-14,17-18,20,22-23H,5-9,12,15-16,19,21H2,1-4H3