2-methoxy-4-nitro-6-[[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-4-nitro-6-[[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-[[4-[1-(4-benzyloxybutyl)imidazol-2-yl]-1-piperidyl]methyl]-6-methoxy-4-nitro-phenol CAS Name: 2-methoxy-4-nitro-6-[[4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-methoxy-4-nitro-6-[[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2-[[4-[1-(4-benzoxybutyl)imidazol-2-yl]piperidino]methyl]-6-methoxy-4-nitro-phenol Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])CN2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])CN2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4)O

InChI

InChI=1S/C27H34N4O5/c1-35-25-18-24(31(33)34)17-23(26(25)32)19-29-13-9-22(10-14-29)27-28-11-15-30(27)12-5-6-16-36-20-21-7-3-2-4-8-21/h2-4,7-8,11,15,17-18,22,32H,5-6,9-10,12-14,16,19-20H2,1H3