1-[2-oxidanyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]butyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]butyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-hydroxy-3-[[1-(4-pyridyl)-4-piperidyl]amino]butyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-3-[(1-pyridin-4-yl-4-piperidinyl)amino]butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]butyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-hydroxy-3-[[1-(4-pyridyl)-4-piperidyl]amino]butyl]isonipecotic acid Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1CCC(CC1)C(=O)O)O)NC2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C(CN1CCC(CC1)C(=O)O)O)NC2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H32N4O3/c1-15(19(25)14-23-10-4-16(5-11-23)20(26)27)22-17-6-12-24(13-7-17)18-2-8-21-9-3-18/h2-3,8-9,15-17,19,22,25H,4-7,10-14H2,1H3,(H,26,27)