ethyl 2-[2-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)-5-fluoranyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)-5-fluoranyl-phenoxy]ethanoate Openeye Name: ethyl 2-[2-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octoxy)-5-fluoro-phenoxy]acetate CAS Name: 2-[2-[6-cyano-7-methyl-6-phenyl-2-(1-piperazinyl)octoxy]-5-fluorophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yloctoxy)-5-fluorophenoxy]acetate Traditional Name: 2-[2-(6-cyano-7-methyl-6-phenyl-2-piperazino-octoxy)-5-fluoro-phenoxy]acetic acid ethyl ester Formula: C30H40FN3O4 MolecularWeight: 525.654703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC(=C1)F)OCC(CCCC(C#N)(C2=CC=CC=C2)C(C)C)N3CCNCC3

Isomeric SMILES

CCOC(=O)COC1=C(C=CC(=C1)F)OCC(CCCC(C#N)(C2=CC=CC=C2)C(C)C)N3CCNCC3

InChI

InChI=1S/C30H40FN3O4/c1-4-36-29(35)21-38-28-19-25(31)12-13-27(28)37-20-26(34-17-15-33-16-18-34)11-8-14-30(22-32,23(2)3)24-9-6-5-7-10-24/h5-7,9-10,12-13,19,23,26,33H,4,8,11,14-18,20-21H2,1-3H3