ethyl (E)-4-[2-(hexadecylamino)phenyl]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[2-(hexadecylamino)phenyl]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[2-(hexadecylamino)phenyl]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-(hexadecylamino)phenyl]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[2-(hexadecylamino)phenyl]-4-oxobut-2-enoate Traditional Name: (E)-4-[2-(cetylamino)phenyl]-4-keto-but-2-enoic acid ethyl ester Formula: C28H45NO3 MolecularWeight: 443.6618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=CC=C1C(=O)C=CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=CC=C1C(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C28H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-29-26-21-18-17-20-25(26)27(30)22-23-28(31)32-4-2/h17-18,20-23,29H,3-16,19,24H2,1-2H3/b23-22+