2-[(3S)-4-ethanoyl-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrol-3-yl]ethanoate

Systemtic Name: 2-[(3S)-4-ethanoyl-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrol-3-yl]ethanoate Openeye Name: 2-[(3S)-4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl]acetate CAS Name: 2-[(3S)-4-acetyl-5-methyl-2-oxo-1-(phenylmethyl)-3H-pyrrol-3-yl]acetate IUPAC Name: 2-[(3S)-4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl]acetate Traditional Name: 2-[(3S)-4-acetyl-1-benzyl-2-keto-5-methyl-2-pyrrolin-3-yl]acetate Formula: C16H16NO4- MolecularWeight: 286.30254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1CC2=CC=CC=C2)CC(=O)[O-])C(=O)C

Isomeric SMILES

CC1=C([C@@H](C(=O)N1CC2=CC=CC=C2)CC(=O)[O-])C(=O)C

InChI

InChI=1S/C16H17NO4/c1-10-15(11(2)18)13(8-14(19)20)16(21)17(10)9-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3,(H,19,20)/p-1/t13-/m0/s1