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

Systemtic Name: methyl 3-[4-(hexadecylamino)phenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(hexadecylamino)phenyl]-3-oxo-propanoate CAS Name: 3-[4-(hexadecylamino)phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(hexadecylamino)phenyl]-3-oxopropanoate Traditional Name: 3-[4-(cetylamino)phenyl]-3-keto-propionic acid methyl ester Formula: C26H43NO3 MolecularWeight: 417.62452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-24-19-17-23(18-20-24)25(28)22-26(29)30-2/h17-20,27H,3-16,21-22H2,1-2H3