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

Systemtic Name: 3-[4-(hexadecylamino)phenyl]-2-oxidanylidene-propanoate Openeye Name: 3-[4-(hexadecylamino)phenyl]-2-oxo-propanoate CAS Name: 3-[4-(hexadecylamino)phenyl]-2-oxopropanoate IUPAC Name: 3-[4-(hexadecylamino)phenyl]-2-oxopropanoate Traditional Name: 3-[4-(cetylamino)phenyl]-2-keto-propionate Formula: C25H40NO3- MolecularWeight: 402.59

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CC(=O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CC(=O)C(=O)[O-]

InChI

InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-23-18-16-22(17-19-23)21-24(27)25(28)29/h16-19,26H,2-15,20-21H2,1H3,(H,28,29)/p-1