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

Systemtic Name: (E)-2-benzamido-3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodo-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(4-bromobenzyl)oxy-3-ethoxy-5-iodo-phenyl]acrylic acid Formula: C25H21BrINO5 MolecularWeight: 622.24641

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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)I)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)I)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H21BrINO5/c1-2-32-22-14-17(12-20(27)23(22)33-15-16-8-10-19(26)11-9-16)13-21(25(30)31)28-24(29)18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H,28,29)(H,30,31)/b21-13+