N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine CAS Name: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]amine Formula: C23H33N3O8 MolecularWeight: 479.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O.C6H8O7/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)