1-[2-[methyl-[(2R)-2-oxidanyl-3-quinolin-5-yloxy-propyl]amino]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[methyl-[(2R)-2-oxidanyl-3-quinolin-5-yloxy-propyl]amino]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[(2R)-2-hydroxy-3-(5-quinolyloxy)propyl]-methyl-amino]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(2R)-2-hydroxy-3-(5-quinolinyloxy)propyl]-methylamino]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]-methylamino]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[(2R)-2-hydroxy-3-(5-quinolyloxy)propyl]-methyl-amino]acetyl]isonipecotic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=CC2=C1C=CC=N2)O)CC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN(C[C@H](COC1=CC=CC2=C1C=CC=N2)O)CC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H27N3O5/c1-23(13-20(26)24-10-7-15(8-11-24)21(27)28)12-16(25)14-29-19-6-2-5-18-17(19)4-3-9-22-18/h2-6,9,15-16,25H,7-8,10-14H2,1H3,(H,27,28)/t16-/m1/s1