diethyl (2S)-2-(2-butanoylpyrrol-1-yl)pentanedioate

Systemtic Name: diethyl (2S)-2-(2-butanoylpyrrol-1-yl)pentanedioate Openeye Name: diethyl (2S)-2-(2-butanoylpyrrol-1-yl)pentanedioate CAS Name: (2S)-2-[2-(1-oxobutyl)-1-pyrrolyl]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-(2-butanoylpyrrol-1-yl)pentanedioate Traditional Name: (2S)-2-(2-butyrylpyrrol-1-yl)glutaric acid diethyl ester Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CN1C(CCC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC(=O)C1=CC=CN1[C@@H](CCC(=O)OCC)C(=O)OCC

InChI

InChI=1S/C17H25NO5/c1-4-8-15(19)13-9-7-12-18(13)14(17(21)23-6-3)10-11-16(20)22-5-2/h7,9,12,14H,4-6,8,10-11H2,1-3H3/t14-/m0/s1