ethanedioic acid; 3-phenyl-N-(3-piperidin-1-ylbutyl)-1,2-oxazol-5-amine

Systemtic Name: ethanedioic acid; 3-phenyl-N-(3-piperidin-1-ylbutyl)-1,2-oxazol-5-amine Openeye Name: oxalic acid; 3-phenyl-N-[3-(1-piperidyl)butyl]isoxazol-5-amine CAS Name: oxalic acid; 3-phenyl-N-[3-(1-piperidinyl)butyl]-5-isoxazolamine IUPAC Name: oxalic acid; 3-phenyl-N-(3-piperidin-1-ylbutyl)-1,2-oxazol-5-amine Traditional Name: oxalic acid; (3-phenylisoxazol-5-yl)-(3-piperidinobutyl)amine Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=CC(=NO1)C2=CC=CC=C2)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCNC1=CC(=NO1)C2=CC=CC=C2)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N3O.C2H2O4/c1-15(21-12-6-3-7-13-21)10-11-19-18-14-17(20-22-18)16-8-4-2-5-9-16;3-1(4)2(5)6/h2,4-5,8-9,14-15,19H,3,6-7,10-13H2,1H3;(H,3,4)(H,5,6)