(E)-2-acetamido-3-[4-cyano-2-[2-(methylamino)propoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[4-cyano-2-[2-(methylamino)propoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[4-cyano-2-[2-(methylamino)propoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[4-cyano-2-[2-(methylamino)propoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[4-cyano-2-[2-(methylamino)propoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[4-cyano-2-[2-(methylamino)propoxy]phenyl]acrylic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=CC(=C1)C#N)C=C(C(=O)O)NC(=O)C)NC

Isomeric SMILES

CC(COC1=C(C=CC(=C1)C#N)/C=C(\C(=O)O)/NC(=O)C)NC

InChI

InChI=1S/C16H19N3O4/c1-10(18-3)9-23-15-6-12(8-17)4-5-13(15)7-14(16(21)22)19-11(2)20/h4-7,10,18H,9H2,1-3H3,(H,19,20)(H,21,22)/b14-7+