methyl 5-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methyl-2-nitro-6-propan-2-yl-phenoxy)pentanoate

Systemtic Name: methyl 5-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methyl-2-nitro-6-propan-2-yl-phenoxy)pentanoate Openeye Name: methyl 5-[4-(4-fluorophenyl)piperazin-1-yl]-2-(6-isopropyl-3-methyl-2-nitro-phenoxy)pentanoate CAS Name: 5-[4-(4-fluorophenyl)-1-piperazinyl]-2-(3-methyl-2-nitro-6-propan-2-ylphenoxy)pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methyl-2-nitro-6-propan-2-ylphenoxy)pentanoate Traditional Name: 5-[4-(4-fluorophenyl)piperazino]-2-(6-isopropyl-3-methyl-2-nitro-phenoxy)valeric acid methyl ester Formula: C26H34FN3O5 MolecularWeight: 487.563663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)OC(CCCN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)OC(CCCN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H34FN3O5/c1-18(2)22-12-7-19(3)24(30(32)33)25(22)35-23(26(31)34-4)6-5-13-28-14-16-29(17-15-28)21-10-8-20(27)9-11-21/h7-12,18,23H,5-6,13-17H2,1-4H3