(E)-2-benzamido-3-[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-phenyl]acrylic acid Formula: C25H21BrFNO5 MolecularWeight: 514.340343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C25H21BrFNO5/c1-2-32-22-14-16(12-19(26)23(22)33-15-18-10-6-7-11-20(18)27)13-21(25(30)31)28-24(29)17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,28,29)(H,30,31)/b21-13+