[(4S)-2-(4-tert-butylphenyl)carbonyl-4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methyl ethanoate

Systemtic Name: [(4S)-2-(4-tert-butylphenyl)carbonyl-4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methyl ethanoate Openeye Name: [(4S)-2-(4-tert-butylbenzoyl)-4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl]methyl acetate CAS Name: acetic acid [(4S)-2-[(4-tert-butylphenyl)-oxomethyl]-4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl]methyl ester IUPAC Name: [(4S)-2-(4-tert-butylbenzoyl)-4-methyl-3-oxo-1-phenylpyrazolidin-4-yl]methyl acetate Traditional Name: acetic acid [(4S)-2-(4-tert-butylbenzoyl)-3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl]methyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CN(N(C1=O)C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC(=O)OC[C@@]1(CN(N(C1=O)C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C24H28N2O4/c1-17(27)30-16-24(5)15-25(20-9-7-6-8-10-20)26(22(24)29)21(28)18-11-13-19(14-12-18)23(2,3)4/h6-14H,15-16H2,1-5H3/t24-/m0/s1