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

Systemtic Name: (E)-2-benzamido-3-[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-phenyl]acrylic acid Formula: C26H24BrNO5 MolecularWeight: 510.37646

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrNO5/c1-3-32-23-15-19(13-21(27)24(23)33-16-18-11-9-17(2)10-12-18)14-22(26(30)31)28-25(29)20-7-5-4-6-8-20/h4-15H,3,16H2,1-2H3,(H,28,29)(H,30,31)/b22-14+