2-[(3S)-5-methyl-2-oxidanylidene-1-(phenylmethyl)-4-propanoyloxy-3H-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[(3S)-5-methyl-2-oxidanylidene-1-(phenylmethyl)-4-propanoyloxy-3H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[(3S)-1-benzyl-5-methyl-2-oxo-4-propanoyloxy-3H-pyrrol-3-yl]acetic acid CAS Name: 2-[(3S)-5-methyl-2-oxo-4-(1-oxopropoxy)-1-(phenylmethyl)-3H-pyrrol-3-yl]acetic acid IUPAC Name: 2-[(3S)-1-benzyl-5-methyl-2-oxo-4-propanoyloxy-3H-pyrrol-3-yl]acetic acid Traditional Name: 2-[(3S)-1-benzyl-2-keto-5-methyl-4-propionyloxy-2-pyrrolin-3-yl]acetic acid Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(N(C(=O)C1CC(=O)O)CC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)OC1=C(N(C(=O)[C@H]1CC(=O)O)CC2=CC=CC=C2)C

InChI

InChI=1S/C17H19NO5/c1-3-15(21)23-16-11(2)18(10-12-7-5-4-6-8-12)17(22)13(16)9-14(19)20/h4-8,13H,3,9-10H2,1-2H3,(H,19,20)/t13-/m0/s1