methyl 1-[2-(4-nitroimidazol-1-yl)octanoyl]-4-phenoxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-(4-nitroimidazol-1-yl)octanoyl]-4-phenoxy-pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(4-nitroimidazol-1-yl)octanoyl]-4-phenoxy-pyrrolidine-2-carboxylate CAS Name: 1-[2-(4-nitro-1-imidazolyl)-1-oxooctyl]-4-phenoxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-nitroimidazol-1-yl)octanoyl]-4-phenoxypyrrolidine-2-carboxylate Traditional Name: 1-[2-(4-nitroimidazol-1-yl)octanoyl]-4-phenoxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C23H30N4O6 MolecularWeight: 458.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=CC=C2)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O6/c1-3-4-5-9-12-19(25-15-21(24-16-25)27(30)31)22(28)26-14-18(13-20(26)23(29)32-2)33-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,3-5,9,12-14H2,1-2H3