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

Systemtic Name: (E)-2-acetamido-3-[3-chloranyl-4-[(2-iodanylphenyl)methoxy]-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-chloro-4-[(2-iodophenyl)methoxy]-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-chloro-4-[(2-iodophenyl)methoxy]-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-chloro-4-[(2-iodophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-chloro-4-(2-iodobenzyl)oxy-5-methoxy-phenyl]acrylic acid Formula: C19H17ClINO5 MolecularWeight: 501.69945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2I)OC)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2I)OC)/C(=O)O

InChI

InChI=1S/C19H17ClINO5/c1-11(23)22-16(19(24)25)8-12-7-14(20)18(17(9-12)26-2)27-10-13-5-3-4-6-15(13)21/h3-9H,10H2,1-2H3,(H,22,23)(H,24,25)/b16-8+