1-[[3-[3-(2-acetyloxyethanoylamino)propoxy]phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[3-[3-(2-acetyloxyethanoylamino)propoxy]phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[3-[3-[(2-acetoxyacetyl)amino]propoxy]phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-[3-[(2-acetyloxy-1-oxoethyl)amino]propoxy]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[3-[3-[(2-acetyloxyacetyl)amino]propoxy]phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[3-[(2-acetoxyacetyl)amino]propoxy]benzyl]isonipecotic acid Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C20H28N2O6/c1-15(23)28-14-19(24)21-8-3-11-27-18-5-2-4-16(12-18)13-22-9-6-17(7-10-22)20(25)26/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H,21,24)(H,25,26)