methyl 5-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoate

Systemtic Name: methyl 5-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoate Openeye Name: methyl 5-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoate CAS Name: 5-[4-(4-fluorophenyl)-1-piperazinyl]-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoate Traditional Name: 5-[4-(4-fluorophenyl)piperazino]-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]valeric acid methyl ester Formula: C23H26FN3O7 MolecularWeight: 475.466843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN1CCN(CC1)C2=CC=C(C=C2)F)OC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

COC(=O)C(CCCN1CCN(CC1)C2=CC=C(C=C2)F)OC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C23H26FN3O7/c1-31-23(28)19(34-20-14-22-21(32-15-33-22)13-18(20)27(29)30)3-2-8-25-9-11-26(12-10-25)17-6-4-16(24)5-7-17/h4-7,13-14,19H,2-3,8-12,15H2,1H3