ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Openeye Name: 1-[(E)-cinnamyl]-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid CAS Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine IUPAC Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Traditional Name: 1-[(E)-cinnamyl]-4-(3-phenoxybenzyl)piperazine; oxalic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O.C2H2O4/c1-3-9-23(10-4-1)12-8-16-27-17-19-28(20-18-27)22-24-11-7-15-26(21-24)29-25-13-5-2-6-14-25;3-1(4)2(5)6/h1-15,21H,16-20,22H2;(H,3,4)(H,5,6)/b12-8+;