ethyl 5-[4-(hexadecylamino)phenyl]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-[4-(hexadecylamino)phenyl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[4-(hexadecylamino)phenyl]-5-oxo-pentanoate CAS Name: 5-[4-(hexadecylamino)phenyl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-(hexadecylamino)phenyl]-5-oxopentanoate Traditional Name: 5-[4-(cetylamino)phenyl]-5-keto-valeric acid ethyl ester Formula: C29H49NO3 MolecularWeight: 459.70426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-25-30-27-23-21-26(22-24-27)28(31)19-18-20-29(32)33-4-2/h21-24,30H,3-20,25H2,1-2H3