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

Systemtic Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-piperidin-4-yl] N-(phenylmethyl)carbamate Openeye Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)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-benzylcarbamate Traditional Name: N-benzylcarbamic acid [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidyl] ester Formula: C31H30F2N2O2 MolecularWeight: 500.578906

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCN(CC1)CCC=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)OC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C#CC1(CCN(CC1)CCC=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)OC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C31H30F2N2O2/c1-2-31(37-30(36)34-23-24-7-4-3-5-8-24)18-21-35(22-19-31)20-6-9-29(25-10-14-27(32)15-11-25)26-12-16-28(33)17-13-26/h1,3-5,7-17H,6,18-23H2,(H,34,36)