2-oxidanylpropane-1,2,3-tricarboxylate; 1-phenethyl-1-(2-phenoxyethyl)-3,3-bis(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-phenethyl-1-(2-phenoxyethyl)-3,3-bis(2-pyrrolidin-1-ylethyl)urea Openeye Name: 1-phenethyl-1-(2-phenoxyethyl)-3,3-bis(2-pyrrolidin-1-ylethyl)urea citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-phenethyl-1-(2-phenoxyethyl)-3,3-bis[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-phenethyl-1-(2-phenoxyethyl)-3,3-bis(2-pyrrolidin-1-ylethyl)urea Traditional Name: 1-phenethyl-1-(2-phenoxyethyl)-3,3-bis(2-pyrrolidinoethyl)urea citrate Formula: C35H47N4O9-3 MolecularWeight: 667.76908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(CCN2CCCC2)C(=O)N(CCC3=CC=CC=C3)CCOC4=CC=CC=C4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1CCN(C1)CCN(CCN2CCCC2)C(=O)N(CCC3=CC=CC=C3)CCOC4=CC=CC=C4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C29H42N4O2.C6H8O7/c34-29(33(23-21-30-16-7-8-17-30)24-22-31-18-9-10-19-31)32(20-15-27-11-3-1-4-12-27)25-26-35-28-13-5-2-6-14-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-6,11-14H,7-10,15-26H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3