3-[2-[(2-piperidin-4-yl-1-propyl-piperidin-3-yl)carbonylamino]pyridin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(2-piperidin-4-yl-1-propyl-piperidin-3-yl)carbonylamino]pyridin-3-yl]propanoic acid Openeye Name: 3-[2-[[2-(4-piperidyl)-1-propyl-piperidine-3-carbonyl]amino]-3-pyridyl]propanoic acid CAS Name: 3-[2-[[oxo-[2-(4-piperidinyl)-1-propyl-3-piperidinyl]methyl]amino]-3-pyridinyl]propanoic acid IUPAC Name: 3-[2-[(2-piperidin-4-yl-1-propylpiperidine-3-carbonyl)amino]pyridin-3-yl]propanoic acid Traditional Name: 3-[2-[[2-(4-piperidyl)-1-propyl-nipecotoyl]amino]-3-pyridyl]propionic acid Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(C1C2CCNCC2)C(=O)NC3=C(C=CC=N3)CCC(=O)O

Isomeric SMILES

CCCN1CCCC(C1C2CCNCC2)C(=O)NC3=C(C=CC=N3)CCC(=O)O

InChI

InChI=1S/C22H34N4O3/c1-2-14-26-15-4-6-18(20(26)16-9-12-23-13-10-16)22(29)25-21-17(5-3-11-24-21)7-8-19(27)28/h3,5,11,16,18,20,23H,2,4,6-10,12-15H2,1H3,(H,27,28)(H,24,25,29)