(E)-but-2-enedioic acid; ethyl 4-[1-(4-methoxyphenyl)-3-phenyl-propyl]piperazine-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 4-[1-(4-methoxyphenyl)-3-phenyl-propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-methoxyphenyl)-3-phenyl-propyl]piperazine-1-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[1-(4-methoxyphenyl)-3-phenylpropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazine-1-carboxylate Traditional Name: fumaric acid; 4-[1-(4-methoxyphenyl)-3-phenyl-propyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(CCC2=CC=CC=C2)C3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(CCC2=CC=CC=C2)C3=CC=C(C=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H30N2O3.C4H4O4/c1-3-28-23(26)25-17-15-24(16-18-25)22(14-9-19-7-5-4-6-8-19)20-10-12-21(27-2)13-11-20;5-3(6)1-2-4(7)8/h4-8,10-13,22H,3,9,14-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+