ethyl 2-[2-[2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethoxy]-5-fluoranyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-[2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethoxy]-5-fluoranyl-phenoxy]ethanoate Openeye Name: ethyl 2-[2-[2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethoxy]-5-fluoro-phenoxy]acetate CAS Name: 2-[2-[2-[4-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinyl]ethoxy]-5-fluorophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[4-[1-(4-cyano-3-methylphenyl)hexyl]piperazin-1-yl]ethoxy]-5-fluorophenoxy]acetate Traditional Name: 2-[2-[2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazino]ethoxy]-5-fluoro-phenoxy]acetic acid ethyl ester Formula: C30H40FN3O4 MolecularWeight: 525.654703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=C(C=C(C=C3)F)OCC(=O)OCC

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=C(C=C(C=C3)F)OCC(=O)OCC

InChI

InChI=1S/C30H40FN3O4/c1-4-6-7-8-27(24-9-10-25(21-32)23(3)19-24)34-15-13-33(14-16-34)17-18-37-28-12-11-26(31)20-29(28)38-22-30(35)36-5-2/h9-12,19-20,27H,4-8,13-18,22H2,1-3H3