(E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-4-[(3-phenylphenyl)methyl]piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-4-[(3-phenylphenyl)methyl]piperazine Openeye Name: fumaric acid; 1-(2-methoxyphenyl)-4-[(3-phenylphenyl)methyl]piperazine CAS Name: (E)-2-butenedioic acid; 1-(2-methoxyphenyl)-4-[(3-phenylphenyl)methyl]piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-4-[(3-phenylphenyl)methyl]piperazine Traditional Name: fumaric acid; 1-(2-methoxyphenyl)-4-(3-phenylbenzyl)piperazine Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H26N2O.C4H4O4/c1-27-24-13-6-5-12-23(24)26-16-14-25(15-17-26)19-20-8-7-11-22(18-20)21-9-3-2-4-10-21;5-3(6)1-2-4(7)8/h2-13,18H,14-17,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+