methyl 4-[1-[3,3,3-tris(fluoranyl)-2-[6-nitro-1-(phenylmethyl)indol-3-yl]-2-oxidanyl-propyl]piperidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[1-[3,3,3-tris(fluoranyl)-2-[6-nitro-1-(phenylmethyl)indol-3-yl]-2-oxidanyl-propyl]piperidin-4-yl]oxybenzoate Openeye Name: methyl 4-[[1-[2-(1-benzyl-6-nitro-indol-3-yl)-3,3,3-trifluoro-2-hydroxy-propyl]-4-piperidyl]oxy]benzoate CAS Name: 4-[[1-[3,3,3-trifluoro-2-hydroxy-2-[6-nitro-1-(phenylmethyl)-3-indolyl]propyl]-4-piperidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[2-(1-benzyl-6-nitroindol-3-yl)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]oxybenzoate Traditional Name: 4-[[1-[2-(1-benzyl-6-nitro-indol-3-yl)-3,3,3-trifluoro-2-hydroxy-propyl]-4-piperidyl]oxy]benzoic acid methyl ester Formula: C31H30F3N3O6 MolecularWeight: 597.58161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2CCN(CC2)CC(C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC=C5)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2CCN(CC2)CC(C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC=C5)(C(F)(F)F)O

InChI

InChI=1S/C31H30F3N3O6/c1-42-29(38)22-7-10-24(11-8-22)43-25-13-15-35(16-14-25)20-30(39,31(32,33)34)27-19-36(18-21-5-3-2-4-6-21)28-17-23(37(40)41)9-12-26(27)28/h2-12,17,19,25,39H,13-16,18,20H2,1H3