1-(2-diethylaminoethyl)-1-(3-phenylpropyl)urea; 2-oxidanylpropane-1,2,3-tricarboxylate; hydrate

Systemtic Name: 1-(2-diethylaminoethyl)-1-(3-phenylpropyl)urea; 2-oxidanylpropane-1,2,3-tricarboxylate; hydrate Openeye Name: 1-(2-diethylaminoethyl)-1-(3-phenylpropyl)urea citrate hydrate CAS Name: 1-(2-diethylaminoethyl)-1-(3-phenylpropyl)urea; 2-hydroxypropane-1,2,3-tricarboxylate; hydrate IUPAC Name: 1-(2-diethylaminoethyl)-1-(3-phenylpropyl)urea; 2-hydroxypropane-1,2,3-tricarboxylate; hydrate Traditional Name: 1-(2-diethylaminoethyl)-1-(3-phenylpropyl)urea citrate hydrate Formula: C22H34N3O9-3 MolecularWeight: 484.52006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CCCC1=CC=CC=C1)C(=O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O

Isomeric SMILES

CCN(CC)CCN(CCCC1=CC=CC=C1)C(=O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O

InChI

InChI=1S/C16H27N3O.C6H8O7.H2O/c1-3-18(4-2)13-14-19(16(17)20)12-8-11-15-9-6-5-7-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H2,17,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/p-3