methyl (E)-6-[2-(azepan-1-yl)-5-[(4-bromophenyl)methoxy]-1-methyl-cyclopentyl]oxy-2-ethyl-hex-4-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=CCOC1(C(CCC1OCC2=CC=C(C=C2)Br)N3CCCCCC3)C)C(=O)OC

Isomeric SMILES

CCC(C/C=C/COC1(C(CCC1OCC2=CC=C(C=C2)Br)N3CCCCCC3)C)C(=O)OC

InChI

InChI=1S/C28H42BrNO4/c1-4-23(27(31)32-3)11-7-10-20-34-28(2)25(30-18-8-5-6-9-19-30)16-17-26(28)33-21-22-12-14-24(29)15-13-22/h7,10,12-15,23,25-26H,4-6,8-9,11,16-21H2,1-3H3/b10-7+