(4-bromophenyl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-bromophenyl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-bromophenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (4-bromobenzyl) ester Formula: C20H17BrN2O2 MolecularWeight: 397.26518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O2/c21-19-9-6-17(7-10-19)15-25-20(24)11-8-18-12-22-23(14-18)13-16-4-2-1-3-5-16/h1-12,14H,13,15H2/b11-8+