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

Systemtic Name: ethyl 4-[1-[3,3,3-tris(fluoranyl)-2-[6-nitro-1-(phenylmethyl)indol-3-yl]-2-oxidanyl-propyl]piperidin-4-yl]oxybenzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C32H32F3N3O6 MolecularWeight: 611.60819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C32H32F3N3O6/c1-2-43-30(39)23-8-11-25(12-9-23)44-26-14-16-36(17-15-26)21-31(40,32(33,34)35)28-20-37(19-22-6-4-3-5-7-22)29-18-24(38(41)42)10-13-27(28)29/h3-13,18,20,26,40H,2,14-17,19,21H2,1H3