3-phenylpropyl (4S)-3-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate

Systemtic Name: 3-phenylpropyl (4S)-3-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate Openeye Name: 3-phenylpropyl (4S)-3-(3,3-dimethyl-2-oxo-pentanoyl)-2,2-dimethyl-oxazolidine-4-carboxylate CAS Name: (4S)-3-(3,3-dimethyl-1,2-dioxopentyl)-2,2-dimethyl-4-oxazolidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (4S)-3-(3,3-dimethyl-2-oxopentanoyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate Traditional Name: (4S)-3-(2-keto-3,3-dimethyl-pentanoyl)-2,2-dimethyl-oxazolidine-4-carboxylic acid 3-phenylpropyl ester Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1C(COC1(C)C)C(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1[C@@H](COC1(C)C)C(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H31NO5/c1-6-21(2,3)18(24)19(25)23-17(15-28-22(23,4)5)20(26)27-14-10-13-16-11-8-7-9-12-16/h7-9,11-12,17H,6,10,13-15H2,1-5H3/t17-/m0/s1