ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenyl-pyrazolidine-4-carboxylate

Systemtic Name: ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenyl-pyrazolidine-4-carboxylate Openeye Name: ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenyl-pyrazolidine-4-carboxylate CAS Name: (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenyl-4-pyrazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenylpyrazolidine-4-carboxylate Traditional Name: (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenyl-pyrazolidine-4-carboxylic acid ethyl ester Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(N(C1C2=CC=C(C=C2)Cl)C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](N(N([C@@H]1C2=CC=C(C=C2)Cl)C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H23ClN2O2/c1-4-25-20(24)17-18(14-8-6-5-7-9-14)22(2)23(3)19(17)15-10-12-16(21)13-11-15/h5-13,17-19H,4H2,1-3H3/t17-,18-,19-/m1/s1