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

Systemtic Name: (E)-2-benzamido-3-[3-bromanyl-4-[(2-bromophenyl)methoxy]-5-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-bromo-4-[(2-bromophenyl)methoxy]-5-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-bromo-4-[(2-bromophenyl)methoxy]-5-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-bromo-4-[(2-bromophenyl)methoxy]-5-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-bromo-4-(2-bromobenzyl)oxy-5-ethoxy-phenyl]acrylic acid Formula: C25H21Br2NO5 MolecularWeight: 575.24594

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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)Br)OCC3=CC=CC=C3Br

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Br)OCC3=CC=CC=C3Br

InChI

InChI=1S/C25H21Br2NO5/c1-2-32-22-14-16(12-20(27)23(22)33-15-18-10-6-7-11-19(18)26)13-21(25(30)31)28-24(29)17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,28,29)(H,30,31)/b21-13+