3-[2-(4-methoxyphenyl)-1-[(2-phenethyl-1H-benzimidazol-4-yl)methoxy]ethyl]phthalic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)-1-[(2-phenethyl-1H-benzimidazol-4-yl)methoxy]ethyl]phthalic acid Openeye Name: 3-[2-(4-methoxyphenyl)-1-[(2-phenethyl-1H-benzimidazol-4-yl)methoxy]ethyl]phthalic acid CAS Name: 3-[2-(4-methoxyphenyl)-1-[(2-phenethyl-1H-benzimidazol-4-yl)methoxy]ethyl]phthalic acid IUPAC Name: 3-[2-(4-methoxyphenyl)-1-[(2-phenethyl-1H-benzimidazol-4-yl)methoxy]ethyl]phthalic acid Traditional Name: 3-[2-(4-methoxyphenyl)-1-[(2-phenethyl-1H-benzimidazol-4-yl)methoxy]ethyl]phthalic acid Formula: C33H30N2O6 MolecularWeight: 550.6011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C2=CC=CC(=C2C(=O)O)C(=O)O)OCC3=C4C(=CC=C3)NC(=N4)CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CC(C2=CC=CC(=C2C(=O)O)C(=O)O)OCC3=C4C(=CC=C3)NC(=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C33H30N2O6/c1-40-24-16-13-22(14-17-24)19-28(25-10-6-11-26(32(36)37)30(25)33(38)39)41-20-23-9-5-12-27-31(23)35-29(34-27)18-15-21-7-3-2-4-8-21/h2-14,16-17,28H,15,18-20H2,1H3,(H,34,35)(H,36,37)(H,38,39)