sodium 2-[5-(4-methoxyphenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoate dihydrate

Systemtic Name: sodium 2-[5-(4-methoxyphenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoate dihydrate Openeye Name: sodium 2-[5-(4-methoxybenzoyl)-1-methyl-pyrrol-2-yl]acetate dihydrate CAS Name: sodium 2-[5-[(4-methoxyphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]acetate dihydrate IUPAC Name: sodium 2-[5-(4-methoxybenzoyl)-1-methylpyrrol-2-yl]acetate dihydrate Traditional Name: sodium 2-(1-methyl-5-p-anisoyl-pyrrol-2-yl)acetate dihydrate Formula: C15H18NNaO6 MolecularWeight: 331.29629

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)OC)CC(=O)[O-].O.O.[Na+]

Isomeric SMILES

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)OC)CC(=O)[O-].O.O.[Na+]

InChI

InChI=1S/C15H15NO4.Na.2H2O/c1-16-11(9-14(17)18)5-8-13(16)15(19)10-3-6-12(20-2)7-4-10;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2/q;+1;;/p-1