methyl (2S,4S)-4-(4-tert-butylphenoxy)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(4-tert-butylphenoxy)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4-tert-butylphenoxy)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(4-tert-butylphenoxy)-1-[(2R)-2-(4-nitro-1-imidazolyl)-1-oxooctyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4-tert-butylphenoxy)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(4-tert-butylphenoxy)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H38N4O6 MolecularWeight: 514.61382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)OC)OC2=CC=C(C=C2)C(C)(C)C)N3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H38N4O6/c1-6-7-8-9-10-22(29-17-24(28-18-29)31(34)35)25(32)30-16-21(15-23(30)26(33)36-5)37-20-13-11-19(12-14-20)27(2,3)4/h11-14,17-18,21-23H,6-10,15-16H2,1-5H3/t21-,22+,23-/m0/s1