ethanedioic acid; 1-[2-(4-methoxy-3-phenethyloxy-phenyl)ethyl]-4-phenyl-piperazine

Systemtic Name: ethanedioic acid; 1-[2-(4-methoxy-3-phenethyloxy-phenyl)ethyl]-4-phenyl-piperazine Openeye Name: 1-[2-(4-methoxy-3-phenethyloxy-phenyl)ethyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[2-(4-methoxy-3-phenethyloxyphenyl)ethyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[2-(4-methoxy-3-phenethyloxyphenyl)ethyl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-[2-(4-methoxy-3-phenethyloxy-phenyl)ethyl]-4-phenyl-piperazine; oxalic acid Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3)OCCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3)OCCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H32N2O2.C2H2O4/c1-30-26-13-12-24(22-27(26)31-21-15-23-8-4-2-5-9-23)14-16-28-17-19-29(20-18-28)25-10-6-3-7-11-25;3-1(4)2(5)6/h2-13,22H,14-21H2,1H3;(H,3,4)(H,5,6)