1-[[4-methyl-2-oxidanylidene-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-methyl-2-oxidanylidene-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-methyl-2-oxo-3-[1-(4-pyridyl)-4-piperidyl]oxazolidine-5-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-methyl-2-oxo-3-(1-pyridin-4-yl-4-piperidinyl)-5-oxazolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-methyl-2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidine-5-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-4-methyl-3-[1-(4-pyridyl)-4-piperidyl]oxazolidine-5-carbonyl]isonipecotic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)N1C2CCN(CC2)C3=CC=NC=C3)C(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1C(OC(=O)N1C2CCN(CC2)C3=CC=NC=C3)C(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H28N4O5/c1-14-18(19(26)24-10-4-15(5-11-24)20(27)28)30-21(29)25(14)17-6-12-23(13-7-17)16-2-8-22-9-3-16/h2-3,8-9,14-15,17-18H,4-7,10-13H2,1H3,(H,27,28)