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

Systemtic Name: diethyl (2S)-2-(2-butylpyrrol-1-yl)pentanedioate Openeye Name: diethyl (2S)-2-(2-butylpyrrol-1-yl)pentanedioate CAS Name: (2S)-2-(2-butyl-1-pyrrolyl)pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-(2-butylpyrrol-1-yl)pentanedioate Traditional Name: (2S)-2-(2-butylpyrrol-1-yl)glutaric acid diethyl ester Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CN1C(CCC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=CN1[C@@H](CCC(=O)OCC)C(=O)OCC

InChI

InChI=1S/C17H27NO4/c1-4-7-9-14-10-8-13-18(14)15(17(20)22-6-3)11-12-16(19)21-5-2/h8,10,13,15H,4-7,9,11-12H2,1-3H3/t15-/m0/s1