2-(4-methylphenyl)-5-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]benzenecarboximidamide hydrate

Systemtic Name: 2-(4-methylphenyl)-5-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]benzenecarboximidamide hydrate Openeye Name: 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]-2-(p-tolyl)benzamidine hydrate CAS Name: 2-(4-methylphenyl)-5-[[2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]methoxy]benzenecarboximidamide hydrate IUPAC Name: 2-(4-methylphenyl)-5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]benzenecarboximidamide hydrate Traditional Name: 5-[[2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]-2-(p-tolyl)benzamidine hydrate Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CCN(C3=O)CCCC4=CC=CC=C4)C(=N)N.O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CCN(C3=O)CCCC4=CC=CC=C4)C(=N)N.O

InChI

InChI=1S/C28H31N3O2.H2O/c1-20-9-11-22(12-10-20)25-14-13-24(18-26(25)27(29)30)33-19-23-15-17-31(28(23)32)16-5-8-21-6-3-2-4-7-21;/h2-4,6-7,9-14,18,23H,5,8,15-17,19H2,1H3,(H3,29,30);1H2