(2S)-4-methoxy-4-oxidanylidene-2-pyrrol-1-yl-butanoic acid

Systemtic Name: (2S)-4-methoxy-4-oxidanylidene-2-pyrrol-1-yl-butanoic acid Openeye Name: (2S)-4-methoxy-4-oxo-2-pyrrol-1-yl-butanoic acid CAS Name: (2S)-4-methoxy-4-oxo-2-(1-pyrrolyl)butanoic acid IUPAC Name: (2S)-4-methoxy-4-oxo-2-pyrrol-1-ylbutanoic acid Traditional Name: (2S)-4-keto-4-methoxy-2-pyrrol-1-yl-butyric acid Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)O)N1C=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4/c1-14-8(11)6-7(9(12)13)10-4-2-3-5-10/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1