[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (3S)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (3S)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (3S)-3-acetamido-3-phenyl-propanoate CAS Name: (3S)-3-acetamido-3-phenylpropanoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (3S)-3-acetamido-3-phenylpropanoate Traditional Name: (3S)-3-acetamido-3-phenyl-propionic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-16(26)23-20(18-10-6-3-7-11-18)14-22(28)29-15-21(27)25-13-12-19(24-25)17-8-4-2-5-9-17/h2-11,20H,12-15H2,1H3,(H,23,26)/t20-/m0/s1