(4-nitrophenyl) (2S)-2-(decanoylamino)-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: (4-nitrophenyl) (2S)-2-(decanoylamino)-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: (4-nitrophenyl) (2S)-3-(4-benzyloxyphenyl)-2-(decanoylamino)propanoate CAS Name: (2S)-2-(1-oxodecylamino)-3-(4-phenylmethoxyphenyl)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-2-(decanoylamino)-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-(caprylamino)propionic acid (4-nitrophenyl) ester Formula: C32H38N2O6 MolecularWeight: 546.65392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C32H38N2O6/c1-2-3-4-5-6-7-11-14-31(35)33-30(32(36)40-29-21-17-27(18-22-29)34(37)38)23-25-15-19-28(20-16-25)39-24-26-12-9-8-10-13-26/h8-10,12-13,15-22,30H,2-7,11,14,23-24H2,1H3,(H,33,35)/t30-/m0/s1