(2S,3S)-3-methyl-2-pyrrol-1-yl-pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-pyrrol-1-yl-pentanoate Openeye Name: (2S,3S)-3-methyl-2-pyrrol-1-yl-pentanoate CAS Name: (2S,3S)-3-methyl-2-(1-pyrrolyl)pentanoate IUPAC Name: (2S,3S)-3-methyl-2-pyrrol-1-ylpentanoate Traditional Name: (2S,3S)-3-methyl-2-pyrrol-1-yl-valerate Formula: C10H14NO2- MolecularWeight: 180.22366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])N1C=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])N1C=CC=C1

InChI

InChI=1S/C10H15NO2/c1-3-8(2)9(10(12)13)11-6-4-5-7-11/h4-9H,3H2,1-2H3,(H,12,13)/p-1/t8-,9-/m0/s1