(E)-2-acetamido-3-(3-bromanyl-5-methoxy-4-phenethyloxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-bromanyl-5-methoxy-4-phenethyloxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-bromo-5-methoxy-4-phenethyloxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-bromo-5-methoxy-4-phenethyloxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-bromo-5-methoxy-4-phenethyloxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-bromo-5-methoxy-4-phenethyloxy-phenyl)acrylic acid Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO5/c1-13(23)22-17(20(24)25)11-15-10-16(21)19(18(12-15)26-2)27-9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,22,23)(H,24,25)/b17-11+