2-[4-[2-(5-chloranyl-2-phenethyloxy-phenyl)ethyl]piperazin-1-yl]pyrimidine; ethanedioic acid

Systemtic Name: 2-[4-[2-(5-chloranyl-2-phenethyloxy-phenyl)ethyl]piperazin-1-yl]pyrimidine; ethanedioic acid Openeye Name: 2-[4-[2-(5-chloro-2-phenethyloxy-phenyl)ethyl]piperazin-1-yl]pyrimidine; oxalic acid CAS Name: 2-[4-[2-(5-chloro-2-phenethyloxyphenyl)ethyl]-1-piperazinyl]pyrimidine; oxalic acid IUPAC Name: 2-[4-[2-(5-chloro-2-phenethyloxyphenyl)ethyl]piperazin-1-yl]pyrimidine; oxalic acid Traditional Name: 2-[4-[2-(5-chloro-2-phenethyloxy-phenyl)ethyl]piperazino]pyrimidine; oxalic acid Formula: C26H29ClN4O5 MolecularWeight: 512.98526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=C(C=CC(=C2)Cl)OCCC3=CC=CC=C3)C4=NC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCC2=C(C=CC(=C2)Cl)OCCC3=CC=CC=C3)C4=NC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H27ClN4O.C2H2O4/c25-22-7-8-23(30-18-10-20-5-2-1-3-6-20)21(19-22)9-13-28-14-16-29(17-15-28)24-26-11-4-12-27-24;3-1(4)2(5)6/h1-8,11-12,19H,9-10,13-18H2;(H,3,4)(H,5,6)