(E)-2-acetamido-3-[3,5-bis(bromanyl)-4-phenethyloxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[3,5-bis(bromanyl)-4-phenethyloxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3,5-dibromo-4-phenethyloxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3,5-dibromo-4-phenethyloxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3,5-dibromo-4-phenethyloxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3,5-dibromo-4-phenethyloxy-phenyl)acrylic acid Formula: C19H17Br2NO4 MolecularWeight: 483.15058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C(=C1)Br)OCCC2=CC=CC=C2)Br)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C(=C1)Br)OCCC2=CC=CC=C2)Br)/C(=O)O

InChI

InChI=1S/C19H17Br2NO4/c1-12(23)22-17(19(24)25)11-14-9-15(20)18(16(21)10-14)26-8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,22,23)(H,24,25)/b17-11+