(E)-but-2-enedioic acid; 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenyl-butan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenyl-butan-1-one Openeye Name: 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenyl-butan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-cyclohexyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-2-phenyl-1-butanone IUPAC Name: (E)-but-2-enedioic acid; 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one Traditional Name: 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazino]-2-methyl-2-phenyl-butan-1-one; fumaric acid Formula: C32H42N2O6 MolecularWeight: 550.68568

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCN(CC1)C2=CC=CC=C2OC)(C3=CC=CC=C3)C(=O)C4CCCCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCN1CCN(CC1)C2=CC=CC=C2OC)(C3=CC=CC=C3)C(=O)C4CCCCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H38N2O2.C4H4O4/c1-28(24-13-7-4-8-14-24,27(31)23-11-5-3-6-12-23)17-18-29-19-21-30(22-20-29)25-15-9-10-16-26(25)32-2;5-3(6)1-2-4(7)8/h4,7-10,13-16,23H,3,5-6,11-12,17-22H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+