2-methyl-2-octyl-6-[5-(4-octylphenyl)pyrimidin-2-yl]-3H-inden-1-one

Systemtic Name: 2-methyl-2-octyl-6-[5-(4-octylphenyl)pyrimidin-2-yl]-3H-inden-1-one Openeye Name: 2-methyl-2-octyl-6-[5-(4-octylphenyl)pyrimidin-2-yl]indan-1-one CAS Name: 2-methyl-2-octyl-6-[5-(4-octylphenyl)-2-pyrimidinyl]-3H-inden-1-one IUPAC Name: 2-methyl-2-octyl-6-[5-(4-octylphenyl)pyrimidin-2-yl]-3H-inden-1-one Traditional Name: 2-methyl-2-octyl-6-[5-(4-octylphenyl)pyrimidin-2-yl]indan-1-one Formula: C36H48N2O MolecularWeight: 524.77912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(CC(C4=O)(C)CCCCCCCC)C=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(CC(C4=O)(C)CCCCCCCC)C=C3

InChI

InChI=1S/C36H48N2O/c1-4-6-8-10-12-14-16-28-17-19-29(20-18-28)32-26-37-35(38-27-32)30-21-22-31-25-36(3,34(39)33(31)24-30)23-15-13-11-9-7-5-2/h17-22,24,26-27H,4-16,23,25H2,1-3H3