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

Systemtic Name: (E)-2-benzamido-3-[3-bromanyl-4-[(4-iodophenyl)methoxy]-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-bromo-4-[(4-iodophenyl)methoxy]-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-bromo-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-bromo-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-bromo-4-(4-iodobenzyl)oxy-5-methoxy-phenyl]acrylic acid Formula: C24H19BrINO5 MolecularWeight: 608.21983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)I

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)I

InChI

InChI=1S/C24H19BrINO5/c1-31-21-13-16(11-19(25)22(21)32-14-15-7-9-18(26)10-8-15)12-20(24(29)30)27-23(28)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,27,28)(H,29,30)/b20-12+