(2R,3S)-2-(2,5-dimethylpyrrol-1-yl)-3-methyl-pentanoate

Systemtic Name: (2R,3S)-2-(2,5-dimethylpyrrol-1-yl)-3-methyl-pentanoate Openeye Name: (2R,3S)-2-(2,5-dimethylpyrrol-1-yl)-3-methyl-pentanoate CAS Name: (2R,3S)-2-(2,5-dimethyl-1-pyrrolyl)-3-methylpentanoate IUPAC Name: (2R,3S)-2-(2,5-dimethylpyrrol-1-yl)-3-methylpentanoate Traditional Name: (2R,3S)-2-(2,5-dimethylpyrrol-1-yl)-3-methyl-valerate Formula: C12H18NO2- MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])N1C(=CC=C1C)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)[O-])N1C(=CC=C1C)C

InChI

InChI=1S/C12H19NO2/c1-5-8(2)11(12(14)15)13-9(3)6-7-10(13)4/h6-8,11H,5H2,1-4H3,(H,14,15)/p-1/t8-,11+/m0/s1