ethyl 4-[4-(hexadecylamino)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-(hexadecylamino)phenyl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(hexadecylamino)phenyl]-4-oxo-butanoate CAS Name: 4-[4-(hexadecylamino)phenyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(hexadecylamino)phenyl]-4-oxobutanoate Traditional Name: 4-[4-(cetylamino)phenyl]-4-keto-butyric acid ethyl ester Formula: C28H47NO3 MolecularWeight: 445.67768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-26-20-18-25(19-21-26)27(30)22-23-28(31)32-4-2/h18-21,29H,3-17,22-24H2,1-2H3