(E)-2-benzamido-3-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(4-benzoxy-3-bromo-5-ethoxy-phenyl)acrylic acid Formula: C25H22BrNO5 MolecularWeight: 496.34988

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO5/c1-2-31-22-15-18(13-20(26)23(22)32-16-17-9-5-3-6-10-17)14-21(25(29)30)27-24(28)19-11-7-4-8-12-19/h3-15H,2,16H2,1H3,(H,27,28)(H,29,30)/b21-14+