ethyl (2S)-2-(dodecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate

Systemtic Name: ethyl (2S)-2-(dodecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate Openeye Name: ethyl (2S)-2-(dodecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate CAS Name: (2S)-3-(4-methoxy-3-nitrophenyl)-2-(1-oxododecylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(dodecanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoate Traditional Name: (2S)-2-(lauroylamino)-3-(4-methoxy-3-nitro-phenyl)propionic acid ethyl ester Formula: C24H38N2O6 MolecularWeight: 450.56832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C24H38N2O6/c1-4-6-7-8-9-10-11-12-13-14-23(27)25-20(24(28)32-5-2)17-19-15-16-22(31-3)21(18-19)26(29)30/h15-16,18,20H,4-14,17H2,1-3H3,(H,25,27)/t20-/m0/s1