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

Systemtic Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentyl)pyrazolidine-1-carboxylate Openeye Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxo-pentyl)pyrazolidine-1-carboxylate CAS Name: 2-(3,3-dimethyl-2-oxopentyl)-1-pyrazolidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxopentyl)pyrazolidine-1-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentyl)pyrazolidine-1-carboxylic acid 3-phenylpropyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)CN1CCCN1C(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)CN1CCCN1C(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O3/c1-4-20(2,3)18(23)16-21-13-9-14-22(21)19(24)25-15-8-12-17-10-6-5-7-11-17/h5-7,10-11H,4,8-9,12-16H2,1-3H3