(E)-2-benzamido-3-[4-(2-bromanyl-4-methyl-phenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[4-(2-bromanyl-4-methyl-phenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-(2-bromo-4-methyl-phenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-(2-bromo-4-methylphenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-(2-bromo-4-methylphenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(2-bromo-4-methyl-phenoxy)phenyl]acrylic acid Formula: C23H18BrNO4 MolecularWeight: 452.29732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C23H18BrNO4/c1-15-7-12-21(19(24)13-15)29-18-10-8-16(9-11-18)14-20(23(27)28)25-22(26)17-5-3-2-4-6-17/h2-14H,1H3,(H,25,26)(H,27,28)/b20-14+