methyl 2-[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoate hydrate hydrochloride

Systemtic Name: methyl 2-[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoate hydrate hydrochloride Openeye Name: methyl 2-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetate hydrate hydrochloride CAS Name: 2-[2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid methyl ester hydrate hydrochloride IUPAC Name: methyl 2-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetate hydrate hydrochloride Traditional Name: 2-[2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid methyl ester hydrate hydrochloride Formula: C16H24ClNO4 MolecularWeight: 329.81906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(C1=O)CCCC2=CC=CC=C2.O.Cl

Isomeric SMILES

COC(=O)CC1CCN(C1=O)CCCC2=CC=CC=C2.O.Cl

InChI

InChI=1S/C16H21NO3.ClH.H2O/c1-20-15(18)12-14-9-11-17(16(14)19)10-5-8-13-6-3-2-4-7-13;;/h2-4,6-7,14H,5,8-12H2,1H3;1H;1H2