methyl 2-(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl)ethanoate hydrate hydrochloride

Systemtic Name: methyl 2-(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl)ethanoate hydrate hydrochloride Openeye Name: methyl 2-(2-oxo-1-phenyl-pyrrolidin-3-yl)acetate hydrate hydrochloride CAS Name: 2-(2-oxo-1-phenyl-3-pyrrolidinyl)acetic acid methyl ester hydrate hydrochloride IUPAC Name: methyl 2-(2-oxo-1-phenylpyrrolidin-3-yl)acetate hydrate hydrochloride Traditional Name: 2-(2-keto-1-phenyl-pyrrolidin-3-yl)acetic acid methyl ester hydrate hydrochloride Formula: C13H18ClNO4 MolecularWeight: 287.73932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(C1=O)C2=CC=CC=C2.O.Cl

Isomeric SMILES

COC(=O)CC1CCN(C1=O)C2=CC=CC=C2.O.Cl

InChI

InChI=1S/C13H15NO3.ClH.H2O/c1-17-12(15)9-10-7-8-14(13(10)16)11-5-3-2-4-6-11;;/h2-6,10H,7-9H2,1H3;1H;1H2