2-(1H-benzimidazol-2-ylmethyl)-2-(4-pentoxyphenyl)indene-1,3-dione

Systemtic Name: 2-(1H-benzimidazol-2-ylmethyl)-2-(4-pentoxyphenyl)indene-1,3-dione Openeye Name: 2-(1H-benzimidazol-2-ylmethyl)-2-(4-pentoxyphenyl)indane-1,3-dione CAS Name: 2-(1H-benzimidazol-2-ylmethyl)-2-(4-pentoxyphenyl)indene-1,3-dione IUPAC Name: 2-(1H-benzimidazol-2-ylmethyl)-2-(4-pentoxyphenyl)indene-1,3-dione Traditional Name: 2-(4-amoxyphenyl)-2-(1H-benzimidazol-2-ylmethyl)indane-1,3-quinone Formula: C28H26N2O3 MolecularWeight: 438.51764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H26N2O3/c1-2-3-8-17-33-20-15-13-19(14-16-20)28(18-25-29-23-11-6-7-12-24(23)30-25)26(31)21-9-4-5-10-22(21)27(28)32/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,29,30)