(E)-3-(4-tert-butylimidazol-4-yl)prop-2-enoic acid; 1-(4-methoxyphenyl)-3-phenyl-propane-1,3-dione

Systemtic Name: (E)-3-(4-tert-butylimidazol-4-yl)prop-2-enoic acid; 1-(4-methoxyphenyl)-3-phenyl-propane-1,3-dione Openeye Name: (E)-3-(4-tert-butylimidazol-4-yl)prop-2-enoic acid; 1-(4-methoxyphenyl)-3-phenyl-propane-1,3-dione CAS Name: (E)-3-(4-tert-butyl-4-imidazolyl)-2-propenoic acid; 1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione IUPAC Name: (E)-3-(4-tert-butylimidazol-4-yl)prop-2-enoic acid; 1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione Traditional Name: (E)-3-(4-tert-butylimidazol-4-yl)acrylic acid; 1-(4-methoxyphenyl)-3-phenyl-propane-1,3-dione Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(C=NC=N1)C=CC(=O)O.COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1(C=NC=N1)/C=C/C(=O)O.COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14O3.C10H14N2O2/c1-19-14-9-7-13(8-10-14)16(18)11-15(17)12-5-3-2-4-6-12;1-9(2,3)10(5-4-8(13)14)6-11-7-12-10/h2-10H,11H2,1H3;4-7H,1-3H3,(H,13,14)/b;5-4+