1-[1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3,4-diethoxyphenyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(3,4-diethoxyphenyl)ethyl]isonipecotic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)N2CCC(CC2)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)N2CCC(CC2)C(=O)O)OCC

InChI

InChI=1S/C18H27NO4/c1-4-22-16-7-6-15(12-17(16)23-5-2)13(3)19-10-8-14(9-11-19)18(20)21/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,20,21)