ethanedioic acid; methyl 4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]benzoate; oxalic acid CAS Name: oxalic acid; 4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate; oxalic acid Traditional Name: 4-[[4-[(E)-cinnamyl]piperazino]methyl]benzoic acid methyl ester; oxalic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)CC=CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C/C=C/C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O2.C2H2O4/c1-26-22(25)21-11-9-20(10-12-21)18-24-16-14-23(15-17-24)13-5-8-19-6-3-2-4-7-19;3-1(4)2(5)6/h2-12H,13-18H2,1H3;(H,3,4)(H,5,6)/b8-5+;