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

Systemtic Name: 2-(4-nitroimidazol-1-yl)octanoyl 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrrolidine-2-carboxylate Openeye Name: 2-(4-nitroimidazol-1-yl)octanoyl 4-(4-tert-butoxyphenoxy)pyrrolidine-2-carboxylate CAS Name: 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]-2-pyrrolidinecarboxylic acid [2-(4-nitro-1-imidazolyl)-1-oxooctyl] ester IUPAC Name: 2-(4-nitroimidazol-1-yl)octanoyl 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrrolidine-2-carboxylate Traditional Name: 4-(4-tert-butoxyphenoxy)pyrrolidine-2-carboxylic acid 2-(4-nitroimidazol-1-yl)octanoyl ester Formula: C26H36N4O7 MolecularWeight: 516.58664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC(=O)C1CC(CN1)OC2=CC=C(C=C2)OC(C)(C)C)N3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)OC(=O)C1CC(CN1)OC2=CC=C(C=C2)OC(C)(C)C)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H36N4O7/c1-5-6-7-8-9-22(29-16-23(28-17-29)30(33)34)25(32)36-24(31)21-14-20(15-27-21)35-18-10-12-19(13-11-18)37-26(2,3)4/h10-13,16-17,20-22,27H,5-9,14-15H2,1-4H3