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

Systemtic Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-piperidin-4-yl] N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate Openeye Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidyl] N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate CAS Name: 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 Traditional Name: N-homoveratrylcarbamic acid [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidyl] ester Formula: C34H36F2N2O4 MolecularWeight: 574.657446

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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

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

InChI

InChI=1S/C34H36F2N2O4/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/h1,6-16,24H,5,17-23H2,2-3H3,(H,37,39)