tert-butyl (E)-6-[2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-yl-cyclopentyl]oxyhex-4-enoate

Systemtic Name: tert-butyl (E)-6-[2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-yl-cyclopentyl]oxyhex-4-enoate Openeye Name: tert-butyl (E)-6-[2-[3-(4-bromophenyl)propoxy]-5-(1-piperidyl)cyclopentoxy]hex-4-enoate CAS Name: (E)-6-[2-[3-(4-bromophenyl)propoxy]-5-(1-piperidinyl)cyclopentyl]oxy-4-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-6-[2-[3-(4-bromophenyl)propoxy]-5-piperidin-1-ylcyclopentyl]oxyhex-4-enoate Traditional Name: (E)-6-[2-[3-(4-bromophenyl)propoxy]-5-piperidino-cyclopentoxy]hex-4-enoic acid tert-butyl ester Formula: C29H44BrNO4 MolecularWeight: 550.56796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC=CCOC1C(CCC1OCCCC2=CC=C(C=C2)Br)N3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CC/C=C/COC1C(CCC1OCCCC2=CC=C(C=C2)Br)N3CCCCC3

InChI

InChI=1S/C29H44BrNO4/c1-29(2,3)35-27(32)12-6-4-9-21-34-28-25(31-19-7-5-8-20-31)17-18-26(28)33-22-10-11-23-13-15-24(30)16-14-23/h4,9,13-16,25-26,28H,5-8,10-12,17-22H2,1-3H3/b9-4+