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

Systemtic Name: tert-butyl (E)-6-[2-[(4-bromophenyl)methoxy]-5-piperidin-1-yl-cyclopentyl]oxyhex-4-enoate Openeye Name: tert-butyl (E)-6-[2-[(4-bromophenyl)methoxy]-5-(1-piperidyl)cyclopentoxy]hex-4-enoate CAS Name: (E)-6-[2-[(4-bromophenyl)methoxy]-5-(1-piperidinyl)cyclopentyl]oxy-4-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-6-[2-[(4-bromophenyl)methoxy]-5-piperidin-1-ylcyclopentyl]oxyhex-4-enoate Traditional Name: (E)-6-[2-(4-bromobenzyl)oxy-5-piperidino-cyclopentoxy]hex-4-enoic acid tert-butyl ester Formula: C27H40BrNO4 MolecularWeight: 522.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC=CCOC1C(CCC1OCC2=CC=C(C=C2)Br)N3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CC/C=C/COC1C(CCC1OCC2=CC=C(C=C2)Br)N3CCCCC3

InChI

InChI=1S/C27H40BrNO4/c1-27(2,3)33-25(30)10-6-4-9-19-31-26-23(29-17-7-5-8-18-29)15-16-24(26)32-20-21-11-13-22(28)14-12-21/h4,9,11-14,23-24,26H,5-8,10,15-20H2,1-3H3/b9-4+