methyl 3-nitro-5-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-[4-[1-(4-benzyloxybutyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-[1-(4-benzoxybutyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C28H32N4O6 MolecularWeight: 520.57688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H32N4O6/c1-37-28(34)24-17-23(18-25(19-24)32(35)36)27(33)31-13-9-22(10-14-31)26-29-11-15-30(26)12-5-6-16-38-20-21-7-3-2-4-8-21/h2-4,7-8,11,15,17-19,22H,5-6,9-10,12-14,16,20H2,1H3