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

Systemtic Name: tert-butyl (E)-6-[2-(azepan-1-yl)-5-[(3-bromophenyl)methoxy]cyclopentyl]oxyhex-4-enoate Openeye Name: tert-butyl (E)-6-[2-(azepan-1-yl)-5-[(3-bromophenyl)methoxy]cyclopentoxy]hex-4-enoate CAS Name: (E)-6-[2-(1-azepanyl)-5-[(3-bromophenyl)methoxy]cyclopentyl]oxy-4-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-6-[2-(azepan-1-yl)-5-[(3-bromophenyl)methoxy]cyclopentyl]oxyhex-4-enoate Traditional Name: (E)-6-[2-(azepan-1-yl)-5-(3-bromobenzyl)oxy-cyclopentoxy]hex-4-enoic acid tert-butyl ester Formula: C28H42BrNO4 MolecularWeight: 536.54138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC=CCOC1C(CCC1OCC2=CC(=CC=C2)Br)N3CCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CC/C=C/COC1C(CCC1OCC2=CC(=CC=C2)Br)N3CCCCCC3

InChI

InChI=1S/C28H42BrNO4/c1-28(2,3)34-26(31)14-7-6-10-19-32-27-24(30-17-8-4-5-9-18-30)15-16-25(27)33-21-22-12-11-13-23(29)20-22/h6,10-13,20,24-25,27H,4-5,7-9,14-19,21H2,1-3H3/b10-6+