ethyl 3-(4-methoxy-3-nitro-phenyl)-2-(octadecanoylamino)propanoate

Systemtic Name: ethyl 3-(4-methoxy-3-nitro-phenyl)-2-(octadecanoylamino)propanoate Openeye Name: ethyl 3-(4-methoxy-3-nitro-phenyl)-2-(octadecanoylamino)propanoate CAS Name: 3-(4-methoxy-3-nitrophenyl)-2-(1-oxooctadecylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxy-3-nitrophenyl)-2-(octadecanoylamino)propanoate Traditional Name: 3-(4-methoxy-3-nitro-phenyl)-2-stearamido-propionic acid ethyl ester Formula: C30H50N2O6 MolecularWeight: 534.7278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50N2O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(33)31-26(30(34)38-5-2)23-25-21-22-28(37-3)27(24-25)32(35)36/h21-22,24,26H,4-20,23H2,1-3H3,(H,31,33)