3-phenylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrazolidine-1-carboxylate

Systemtic Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrazolidine-1-carboxylate Openeye Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxo-pentanoyl)pyrazolidine-1-carboxylate CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-1-pyrazolidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxopentanoyl)pyrazolidine-1-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)pyrazolidine-1-carboxylic acid 3-phenylpropyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCN1C(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCN1C(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)21-13-9-14-22(21)19(25)26-15-8-12-16-10-6-5-7-11-16/h5-7,10-11H,4,8-9,12-15H2,1-3H3