[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-benzamidopropanoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-benzamidopropanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-benzamidopropanoate CAS Name: (2R)-2-benzamidopropanoic 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] (2R)-2-benzamidopropanoate Traditional Name: (2R)-2-benzamidopropionic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-15(22-20(26)17-10-6-3-7-11-17)21(27)28-14-19(25)24-13-12-18(23-24)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,22,26)/t15-/m1/s1