methyl (2S)-2-[2-methyl-5-(2-oxidanylidenepropyl)pyrrol-1-yl]propanoate

Systemtic Name: methyl (2S)-2-[2-methyl-5-(2-oxidanylidenepropyl)pyrrol-1-yl]propanoate Openeye Name: methyl (2S)-2-(2-acetonyl-5-methyl-pyrrol-1-yl)propanoate CAS Name: (2S)-2-[2-methyl-5-(2-oxopropyl)-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-methyl-5-(2-oxopropyl)pyrrol-1-yl]propanoate Traditional Name: (2S)-2-(2-acetonyl-5-methyl-pyrrol-1-yl)propionic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(C)C(=O)OC)CC(=O)C

Isomeric SMILES

CC1=CC=C(N1[C@@H](C)C(=O)OC)CC(=O)C

InChI

InChI=1S/C12H17NO3/c1-8-5-6-11(7-9(2)14)13(8)10(3)12(15)16-4/h5-6,10H,7H2,1-4H3/t10-/m0/s1