methyl 4-[(2R)-3-ethanoyl-1-(3-methoxypropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[(2R)-3-ethanoyl-1-(3-methoxypropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[(2R)-3-acetyl-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[(2R)-3-acetyl-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-3-acetyl-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[(2R)-3-acetyl-4-hydroxy-5-keto-1-(3-methoxypropyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)C(=O)OC)CCCOC)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=C(C=C2)C(=O)OC)CCCOC)O

InChI

InChI=1S/C18H21NO6/c1-11(20)14-15(12-5-7-13(8-6-12)18(23)25-3)19(9-4-10-24-2)17(22)16(14)21/h5-8,15,21H,4,9-10H2,1-3H3/t15-/m1/s1