(1-phenylpyrazol-4-yl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3/c26-21-7-4-12-24(21)14-17-8-10-19(11-9-17)22(27)28-16-18-13-23-25(15-18)20-5-2-1-3-6-20/h1-3,5-6,8-11,13,15H,4,7,12,14,16H2