[1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-piperidin-4-yl] N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate; (E)-but-2-enedioic acid

Systemtic Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-piperidin-4-yl] N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate; (E)-but-2-enedioic acid Openeye Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidyl] N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]carbamic acid [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidinyl] ester IUPAC Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynylpiperidin-4-yl] N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate; (E)-but-2-enedioic acid Traditional Name: fumaric acid; N-homoveratrylcarbamic acid [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidyl] ester Formula: C38H40F2N2O8 MolecularWeight: 690.729606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)OC2(CCN(CC2)CCC=C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C#C)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)OC2(CCN(CC2)CCC=C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C#C)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C34H36F2N2O4.C4H4O4/c1-4-34(42-33(39)37-20-17-25-7-16-31(40-2)32(24-25)41-3)18-22-38(23-19-34)21-5-6-30(26-8-12-28(35)13-9-26)27-10-14-29(36)15-11-27;5-3(6)1-2-4(7)8/h1,6-16,24H,5,17-23H2,2-3H3,(H,37,39);1-2H,(H,5,6)(H,7,8)/b;2-1+