ethyl 2-cyano-3-[4-(hexadecylamino)phenyl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 2-cyano-3-[4-(hexadecylamino)phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-cyano-3-[4-(hexadecylamino)phenyl]-3-oxo-propanoate CAS Name: 2-cyano-3-[4-(hexadecylamino)phenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[4-(hexadecylamino)phenyl]-3-oxopropanoate Traditional Name: 3-[4-(cetylamino)phenyl]-2-cyano-3-keto-propionic acid ethyl ester Formula: C28H44N2O3 MolecularWeight: 456.66056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-25-20-18-24(19-21-25)27(31)26(23-29)28(32)33-4-2/h18-21,26,30H,3-17,22H2,1-2H3