(E)-3-[2-butyl-3-(4-methoxy-2-methoxycarbonyl-phenyl)imidazol-4-yl]-2-(phenylmethyl)prop-2-enoic acid

Systemtic Name: (E)-3-[2-butyl-3-(4-methoxy-2-methoxycarbonyl-phenyl)imidazol-4-yl]-2-(phenylmethyl)prop-2-enoic acid Openeye Name: (E)-2-benzyl-3-[2-butyl-3-(4-methoxy-2-methoxycarbonyl-phenyl)imidazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[2-butyl-3-(4-methoxy-2-methoxycarbonylphenyl)-4-imidazolyl]-2-(phenylmethyl)-2-propenoic acid IUPAC Name: (E)-2-benzyl-3-[2-butyl-3-(4-methoxy-2-methoxycarbonylphenyl)imidazol-4-yl]prop-2-enoic acid Traditional Name: (E)-2-benzyl-3-[2-butyl-3-(2-carbomethoxy-4-methoxy-phenyl)imidazol-4-yl]acrylic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C2=C(C=C(C=C2)OC)C(=O)OC)C=C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1C2=C(C=C(C=C2)OC)C(=O)OC)/C=C(\CC3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C26H28N2O5/c1-4-5-11-24-27-17-20(15-19(25(29)30)14-18-9-7-6-8-10-18)28(24)23-13-12-21(32-2)16-22(23)26(31)33-3/h6-10,12-13,15-17H,4-5,11,14H2,1-3H3,(H,29,30)/b19-15+