ethyl 2-[4-(hexadecylamino)phenyl]carbonyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[4-(hexadecylamino)phenyl]carbonyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[4-(hexadecylamino)benzoyl]-3-oxo-butanoate CAS Name: 2-[[4-(hexadecylamino)phenyl]-oxomethyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(hexadecylamino)benzoyl]-3-oxobutanoate Traditional Name: 2-[4-(cetylamino)benzoyl]-3-keto-butyric acid ethyl ester Formula: C29H47NO4 MolecularWeight: 473.68778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26-21-19-25(20-22-26)28(32)27(24(3)31)29(33)34-5-2/h19-22,27,30H,4-18,23H2,1-3H3