5-butyl-3-(4-chloranyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-oxazole; ethanedioic acid

Systemtic Name: 5-butyl-3-(4-chloranyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-oxazole; ethanedioic acid Openeye Name: 5-butyl-3-(4-chloro-1,2,3,6-tetrahydropyridin-5-yl)isoxazole; oxalic acid CAS Name: 5-butyl-3-(4-chloro-1,2,3,6-tetrahydropyridin-5-yl)isoxazole; oxalic acid IUPAC Name: 5-butyl-3-(4-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-oxazole; oxalic acid Traditional Name: 5-butyl-3-(4-chloro-1,2,3,6-tetrahydropyridin-5-yl)isoxazole; oxalic acid Formula: C14H19ClN2O5 MolecularWeight: 330.76406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NO1)C2=C(CCNC2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=CC(=NO1)C2=C(CCNC2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17ClN2O.C2H2O4/c1-2-3-4-9-7-12(15-16-9)10-8-14-6-5-11(10)13;3-1(4)2(5)6/h7,14H,2-6,8H2,1H3;(H,3,4)(H,5,6)