2-[4-[4-[(4-chlorophenyl)-phenyl-methoxy]butyl]piperazin-1-yl]pyrimidine; ethanedioic acid

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)-phenyl-methoxy]butyl]piperazin-1-yl]pyrimidine; ethanedioic acid Openeye Name: 2-[4-[4-[(4-chlorophenyl)-phenyl-methoxy]butyl]piperazin-1-yl]pyrimidine; oxalic acid CAS Name: 2-[4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]-1-piperazinyl]pyrimidine; oxalic acid IUPAC Name: 2-[4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]piperazin-1-yl]pyrimidine; oxalic acid Traditional Name: 2-[4-[4-[(4-chlorophenyl)-phenyl-methoxy]butyl]piperazino]pyrimidine; oxalic acid Formula: C27H31ClN4O5 MolecularWeight: 527.01184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29ClN4O.C2H2O4/c26-23-11-9-22(10-12-23)24(21-7-2-1-3-8-21)31-20-5-4-15-29-16-18-30(19-17-29)25-27-13-6-14-28-25;3-1(4)2(5)6/h1-3,6-14,24H,4-5,15-20H2;(H,3,4)(H,5,6)