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(E)-2-benzamido-3-[4-butoxy-3,5-bis(iodanyl)phenyl]prop-2-enoic acid

(E)-2-benzamido-3-[4-butoxy-3,5-bis(iodanyl)phenyl]prop-2-enoic acid

Systemtic Name:(E)-2-benzamido-3-[4-butoxy-3,5-bis(iodanyl)phenyl]prop-2-enoic acid
Openeye Name:(E)-2-benzamido-3-(4-butoxy-3,5-diiodo-phenyl)prop-2-enoic acid
CAS Name:(E)-2-benzamido-3-(4-butoxy-3,5-diiodophenyl)-2-propenoic acid
IUPAC Name:(E)-2-benzamido-3-(4-butoxy-3,5-diiodophenyl)prop-2-enoic acid
Traditional Name:(E)-2-benzamido-3-(4-butoxy-3,5-diiodo-phenyl)acrylic acid
Formula: C20H19I2NO4
MolecularWeight: 591.1781
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1I)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)I


Isomeric SMILES

CCCCOC1=C(C=C(C=C1I)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)I


InChI

InChI=1S/C20H19I2NO4/c1-2-3-9-27-18-15(21)10-13(11-16(18)22)12-17(20(25)26)23-19(24)14-7-5-4-6-8-14/h4-8,10-12H,2-3,9H2,1H3,(H,23,24)(H,25,26)/b17-12+


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