(E)-2-acetamido-3-(3-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-bromo-5-ethoxy-4-isopropoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-bromo-5-ethoxy-4-isopropoxy-phenyl)acrylic acid Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C)Br)OC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Br)OC(C)C

InChI

InChI=1S/C16H20BrNO5/c1-5-22-14-8-11(6-12(17)15(14)23-9(2)3)7-13(16(20)21)18-10(4)19/h6-9H,5H2,1-4H3,(H,18,19)(H,20,21)/b13-7+