3-phenylpropyl (2S)-1-(3,3-dimethyl-4-oxidanyl-2-oxidanylidene-butanoyl)pyrrolidine-2-carboxylate

Systemtic Name: 3-phenylpropyl (2S)-1-(3,3-dimethyl-4-oxidanyl-2-oxidanylidene-butanoyl)pyrrolidine-2-carboxylate Openeye Name: 3-phenylpropyl (2S)-1-(4-hydroxy-3,3-dimethyl-2-oxo-butanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-hydroxy-3,3-dimethyl-1,2-dioxobutyl)-2-pyrrolidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (2S)-1-(4-hydroxy-3,3-dimethyl-2-oxobutanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-hydroxy-2-keto-3,3-dimethyl-butanoyl)pyrrolidine-2-carboxylic acid 3-phenylpropyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CO)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO5/c1-20(2,14-22)17(23)18(24)21-12-6-11-16(21)19(25)26-13-7-10-15-8-4-3-5-9-15/h3-5,8-9,16,22H,6-7,10-14H2,1-2H3/t16-/m0/s1