2-diethylaminoethyl 2-cyclohexylbutanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-diethylaminoethyl 2-cyclohexylbutanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-diethylaminoethyl 2-cyclohexylbutanoate citrate CAS Name: 2-cyclohexylbutanoic acid 2-diethylaminoethyl ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-diethylaminoethyl 2-cyclohexylbutanoate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-cyclohexylbutyric acid 2-diethylaminoethyl ester citrate Formula: C22H36NO9-3 MolecularWeight: 458.52254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)C(=O)OCCN(CC)CC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC(C1CCCCC1)C(=O)OCCN(CC)CC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H31NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h14-15H,4-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3