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

Systemtic Name: (E)-2-acetamido-3-[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-bromo-4-(3-fluorobenzyl)oxy-5-methoxy-phenyl]acrylic acid Formula: C19H17BrFNO5 MolecularWeight: 438.244383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C(=C1)Br)OCC2=CC(=CC=C2)F)OC)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C(=C1)Br)OCC2=CC(=CC=C2)F)OC)/C(=O)O

InChI

InChI=1S/C19H17BrFNO5/c1-11(23)22-16(19(24)25)8-13-7-15(20)18(17(9-13)26-2)27-10-12-4-3-5-14(21)6-12/h3-9H,10H2,1-2H3,(H,22,23)(H,24,25)/b16-8+