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

Systemtic Name: (E)-2-acetamido-3-[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-benzyloxy-3,5-dibromo-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3,5-dibromo-4-phenylmethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3,5-dibromo-4-phenylmethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-benzoxy-3,5-dibromo-phenyl)acrylic acid Formula: C18H15Br2NO4 MolecularWeight: 469.124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br)/C(=O)O

InChI

InChI=1S/C18H15Br2NO4/c1-11(22)21-16(18(23)24)9-13-7-14(19)17(15(20)8-13)25-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,22)(H,23,24)/b16-9+