2-methylbutan-2-yl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: 2-methylbutan-2-yl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: 1,1-dimethylpropyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazino]nicotinic acid tert-amyl ester Formula: C31H37F2N3O2 MolecularWeight: 521.641186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C31H37F2N3O2/c1-4-31(2,3)38-30(37)28-7-5-17-34-29(28)36-21-19-35(20-22-36)18-6-8-27(23-9-13-25(32)14-10-23)24-11-15-26(33)16-12-24/h5,7,9-17,27H,4,6,8,18-22H2,1-3H3