1,3-bis(2-diethylaminoethyl)-1-(2-phenoxyethyl)urea; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1,3-bis(2-diethylaminoethyl)-1-(2-phenoxyethyl)urea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1,3-bis(2-diethylaminoethyl)-1-(2-phenoxyethyl)urea citrate CAS Name: 1,3-bis(2-diethylaminoethyl)-1-(2-phenoxyethyl)urea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1,3-bis(2-diethylaminoethyl)-1-(2-phenoxyethyl)urea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1,3-bis(2-diethylaminoethyl)-1-(2-phenoxyethyl)urea citrate Formula: C27H43N4O9-3 MolecularWeight: 567.65172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N(CCN(CC)CC)CCOC1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCNC(=O)N(CCN(CC)CC)CCOC1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H38N4O2.C6H8O7/c1-5-23(6-2)15-14-22-21(26)25(17-16-24(7-3)8-4)18-19-27-20-12-10-9-11-13-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-19H2,1-4H3,(H,22,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3