dimethyl 3-[(2-phenethyl-1H-benzimidazol-4-yl)methoxymethyl]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 3-[(2-phenethyl-1H-benzimidazol-4-yl)methoxymethyl]benzene-1,2-dicarboxylate Openeye Name: dimethyl 3-[(2-phenethyl-1H-benzimidazol-4-yl)methoxymethyl]benzene-1,2-dicarboxylate CAS Name: 3-[(2-phenethyl-1H-benzimidazol-4-yl)methoxymethyl]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(2-phenethyl-1H-benzimidazol-4-yl)methoxymethyl]benzene-1,2-dicarboxylate Traditional Name: 3-[(2-phenethyl-1H-benzimidazol-4-yl)methoxymethyl]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C27H26N2O5 MolecularWeight: 458.50574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)COCC2=C3C(=CC=C2)NC(=N3)CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)COCC2=C3C(=CC=C2)NC(=N3)CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H26N2O5/c1-32-26(30)21-12-6-10-19(24(21)27(31)33-2)16-34-17-20-11-7-13-22-25(20)29-23(28-22)15-14-18-8-4-3-5-9-18/h3-13H,14-17H2,1-2H3,(H,28,29)