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

Systemtic Name: (E)-2-benzamido-3-[4-[(3-bromophenyl)methoxy]-3-iodanyl-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-[(3-bromophenyl)methoxy]-3-iodo-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-[(3-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-[(3-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(3-bromobenzyl)oxy-3-iodo-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)I)OCC3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

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