2-(2-diethylaminoethyloxy)ethyl 2-ethyl-2-phenyl-butanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-(2-diethylaminoethyloxy)ethyl 2-ethyl-2-phenyl-butanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-(2-diethylaminoethyloxy)ethyl 2-ethyl-2-phenyl-butanoate citrate CAS Name: 2-ethyl-2-phenylbutanoic acid 2-(2-diethylaminoethyloxy)ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-(2-diethylaminoethyloxy)ethyl 2-ethyl-2-phenylbutanoate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-ethyl-2-phenyl-butyric acid 2-(2-diethylaminoethyloxy)ethyl ester citrate Formula: C26H38NO10-3 MolecularWeight: 524.58062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3