ethyl 2-[[4-(hexadecylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(hexadecylamino)phenyl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-(hexadecylamino)benzoyl]amino]acetate CAS Name: 2-[[[4-(hexadecylamino)phenyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(hexadecylamino)benzoyl]amino]acetate Traditional Name: 2-[[4-(cetylamino)benzoyl]amino]acetic acid ethyl ester Formula: C27H46N2O3 MolecularWeight: 446.66574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NCC(=O)OCC

InChI

InChI=1S/C27H46N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25-20-18-24(19-21-25)27(31)29-23-26(30)32-4-2/h18-21,28H,3-17,22-23H2,1-2H3,(H,29,31)