(E)-2-[3-[4-(diphenylmethyl)pyrazol-1-yl]phenoxy]pent-3-enoic acid

Systemtic Name: (E)-2-[3-[4-(diphenylmethyl)pyrazol-1-yl]phenoxy]pent-3-enoic acid Openeye Name: (E)-2-[3-(4-benzhydrylpyrazol-1-yl)phenoxy]pent-3-enoic acid CAS Name: (E)-2-[3-[4-(diphenylmethyl)-1-pyrazolyl]phenoxy]-3-pentenoic acid IUPAC Name: (E)-2-[3-(4-benzhydrylpyrazol-1-yl)phenoxy]pent-3-enoic acid Traditional Name: (E)-2-[3-(4-benzhydrylpyrazol-1-yl)phenoxy]pent-3-enoic acid Formula: C27H24N2O3 MolecularWeight: 424.49106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(=O)O)OC1=CC=CC(=C1)N2C=C(C=N2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C/C=C/C(C(=O)O)OC1=CC=CC(=C1)N2C=C(C=N2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3/c1-2-10-25(27(30)31)32-24-16-9-15-23(17-24)29-19-22(18-28-29)26(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h2-19,25-26H,1H3,(H,30,31)/b10-2+