2-acetamido-2-cyano-3-[3-(phenylcarbonyl)phenyl]propanoic acid; ethoxyethane

Systemtic Name: 2-acetamido-2-cyano-3-[3-(phenylcarbonyl)phenyl]propanoic acid; ethoxyethane Openeye Name: 2-acetamido-3-(3-benzoylphenyl)-2-cyano-propanoic acid; ethoxyethane CAS Name: 2-acetamido-3-(3-benzoylphenyl)-2-cyanopropanoic acid; ethoxyethane IUPAC Name: 2-acetamido-3-(3-benzoylphenyl)-2-cyanopropanoic acid; ethoxyethane Traditional Name: 2-acetamido-3-(3-benzoylphenyl)-2-cyano-propionic acid; ethoxyethane Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC.CC(=O)NC(CC1=CC=CC(=C1)C(=O)C2=CC=CC=C2)(C#N)C(=O)O

Isomeric SMILES

CCOCC.CC(=O)NC(CC1=CC=CC(=C1)C(=O)C2=CC=CC=C2)(C#N)C(=O)O

InChI

InChI=1S/C19H16N2O4.C4H10O/c1-13(22)21-19(12-20,18(24)25)11-14-6-5-9-16(10-14)17(23)15-7-3-2-4-8-15;1-3-5-4-2/h2-10H,11H2,1H3,(H,21,22)(H,24,25);3-4H2,1-2H3