2-diethylaminoethyl 2-(2-ethylphenyl)ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-diethylaminoethyl 2-(2-ethylphenyl)ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-diethylaminoethyl 2-(2-ethylphenyl)acetate citrate CAS Name: 2-(2-ethylphenyl)acetic acid 2-diethylaminoethyl ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-diethylaminoethyl 2-(2-ethylphenyl)acetate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(2-ethylphenyl)acetic acid 2-diethylaminoethyl ester citrate Formula: C22H30NO9-3 MolecularWeight: 452.4749

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CC(=O)OCCN(CC)CC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC1=CC=CC=C1CC(=O)OCCN(CC)CC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H25NO2.C6H8O7/c1-4-14-9-7-8-10-15(14)13-16(18)19-12-11-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-10H,4-6,11-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3