propyl (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate

Systemtic Name: propyl (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: propyl (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid propyl ester IUPAC Name: propyl (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-3-(1,3-benzodioxol-5-yl)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxylic acid propyl ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(CCN1C(=O)C(=O)C(C)(C)CC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCOC(=O)[C@@H]1C(CCN1C(=O)C(=O)C(C)(C)CC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H29NO6/c1-5-11-27-21(26)18-15(14-7-8-16-17(12-14)29-13-28-16)9-10-23(18)20(25)19(24)22(3,4)6-2/h7-8,12,15,18H,5-6,9-11,13H2,1-4H3/t15?,18-/m0/s1