(4-nitrophenyl) 2-(dodecylamino)-3-phenyl-propanoate

Systemtic Name: (4-nitrophenyl) 2-(dodecylamino)-3-phenyl-propanoate Openeye Name: (4-nitrophenyl) 2-(dodecylamino)-3-phenyl-propanoate CAS Name: 2-(dodecylamino)-3-phenylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(dodecylamino)-3-phenylpropanoate Traditional Name: 2-(laurylamino)-3-phenyl-propionic acid (4-nitrophenyl) ester Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCNC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C27H38N2O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-26(22-23-15-12-11-13-16-23)27(30)33-25-19-17-24(18-20-25)29(31)32/h11-13,15-20,26,28H,2-10,14,21-22H2,1H3