(E)-2-acetamido-3-[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-phenyl]acrylic acid Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C)Br)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Br)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H22BrNO5/c1-4-27-19-11-16(10-18(21(25)26)23-14(3)24)9-17(22)20(19)28-12-15-7-5-13(2)6-8-15/h5-11H,4,12H2,1-3H3,(H,23,24)(H,25,26)/b18-10+