1-[(4-acetamidophenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-acetamidophenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-acetamidophenyl)-(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-acetamidophenyl)-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-acetamidophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-acetamidophenyl)-(4-pyridyl)methyl]isonipecotic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=CC=NC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(C2=CC=NC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H23N3O3/c1-14(24)22-18-4-2-15(3-5-18)19(16-6-10-21-11-7-16)23-12-8-17(9-13-23)20(25)26/h2-7,10-11,17,19H,8-9,12-13H2,1H3,(H,22,24)(H,25,26)