2-[[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]methyl]-3-phenyl-propanoate

Systemtic Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]methyl]-3-phenyl-propanoate Openeye Name: 2-benzyl-3-[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]propanoate CAS Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]methyl]-3-phenylpropanoate IUPAC Name: 2-benzyl-3-[2-butyl-3-[(4-cyanophenyl)methyl]-1,2-dihydroimidazol-5-yl]propanoate Traditional Name: 2-benzyl-3-[2-butyl-1-(4-cyanobenzyl)-4-imidazolin-4-yl]propionate Formula: C25H28N3O2- MolecularWeight: 402.50872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=CC=C(C=C2)C#N)CC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1NC(=CN1CC2=CC=C(C=C2)C#N)CC(CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C25H29N3O2/c1-2-3-9-24-27-23(15-22(25(29)30)14-19-7-5-4-6-8-19)18-28(24)17-21-12-10-20(16-26)11-13-21/h4-8,10-13,18,22,24,27H,2-3,9,14-15,17H2,1H3,(H,29,30)/p-1