ethyl 1-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxylate; hydron; chloride

Systemtic Name: ethyl 1-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxylate; hydron; chloride Openeye Name: ethyl 1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxylate; hydron; chloride CAS Name: hydron; 1-[2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester; chloride IUPAC Name: ethyl 1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxylate; hydron; chloride Traditional Name: hydron; 1-[2-hydroxy-3-(4-propionylphenoxy)propyl]isonipecotic acid ethyl ester; chloride Formula: C20H30ClNO5 MolecularWeight: 399.9089

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C(=O)OCC)O.[Cl-]

Isomeric SMILES

[H+].CCC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C(=O)OCC)O.[Cl-]

InChI

InChI=1S/C20H29NO5.ClH/c1-3-19(23)15-5-7-18(8-6-15)26-14-17(22)13-21-11-9-16(10-12-21)20(24)25-4-2;/h5-8,16-17,22H,3-4,9-14H2,1-2H3;1H