(E)-but-2-enedioic acid; 1-[(4-methoxyphenyl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-[(4-methoxyphenyl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine Openeye Name: fumaric acid; 1-[(4-methoxyphenyl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine CAS Name: (E)-2-butenedioic acid; 1-[(4-methoxyphenyl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-[(4-methoxyphenyl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine Traditional Name: fumaric acid; 1-p-anisyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-3-ylmethyl)piperazine Formula: C32H40N2O9 MolecularWeight: 596.668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC4=C(CCCCC4)C=C3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)CCCCC4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H32N2O.2C4H4O4/c1-27-24-11-8-20(9-12-24)18-25-13-15-26(16-14-25)19-21-7-10-22-5-3-2-4-6-23(22)17-21;2*5-3(6)1-2-4(7)8/h7-12,17H,2-6,13-16,18-19H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+