methyl (2S,4S)-4-isoquinolin-5-yloxy-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-isoquinolin-5-yloxy-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-(5-isoquinolyloxy)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(5-isoquinolinyloxy)-1-[(2R)-2-(4-nitro-1-imidazolyl)-1-oxooctyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-isoquinolin-5-yloxy-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(5-isoquinolyloxy)-1-[(2R)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C26H31N5O6 MolecularWeight: 509.55424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=CC3=C2C=CN=C3)N4C=C(N=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)OC)OC2=CC=CC3=C2C=CN=C3)N4C=C(N=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O6/c1-3-4-5-6-9-21(29-16-24(28-17-29)31(34)35)25(32)30-15-19(13-22(30)26(33)36-2)37-23-10-7-8-18-14-27-12-11-20(18)23/h7-8,10-12,14,16-17,19,21-22H,3-6,9,13,15H2,1-2H3/t19-,21+,22-/m0/s1