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

Systemtic Name: (E)-2-benzamido-3-[3-iodanyl-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-iodo-5-methoxy-4-(m-tolylmethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-iodo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-iodo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-iodo-5-methoxy-4-(3-methylbenzyl)oxy-phenyl]acrylic acid Formula: C25H22INO5 MolecularWeight: 543.35035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2I)C=C(C(=O)O)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2I)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H22INO5/c1-16-7-6-8-17(11-16)15-32-23-20(26)12-18(14-22(23)31-2)13-21(25(29)30)27-24(28)19-9-4-3-5-10-19/h3-14H,15H2,1-2H3,(H,27,28)(H,29,30)/b21-13+