4-(4-chlorophenyl)-4-oxidanylidene-2-piperidin-1-yl-butanoic acid hydrate

Systemtic Name: 4-(4-chlorophenyl)-4-oxidanylidene-2-piperidin-1-yl-butanoic acid hydrate Openeye Name: 4-(4-chlorophenyl)-4-oxo-2-(1-piperidyl)butanoic acid hydrate CAS Name: 4-(4-chlorophenyl)-4-oxo-2-(1-piperidinyl)butanoic acid hydrate IUPAC Name: 4-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylbutanoic acid hydrate Traditional Name: 4-(4-chlorophenyl)-4-keto-2-piperidino-butyric acid hydrate Formula: C15H20ClNO4 MolecularWeight: 313.7766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O.O

Isomeric SMILES

C1CCN(CC1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O.O

InChI

InChI=1S/C15H18ClNO3.H2O/c16-12-6-4-11(5-7-12)14(18)10-13(15(19)20)17-8-2-1-3-9-17;/h4-7,13H,1-3,8-10H2,(H,19,20);1H2