methyl 4-[4-(hexadecylamino)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-(hexadecylamino)phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(hexadecylamino)phenyl]-4-oxo-butanoate CAS Name: 4-[4-(hexadecylamino)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(hexadecylamino)phenyl]-4-oxobutanoate Traditional Name: 4-[4-(cetylamino)phenyl]-4-keto-butyric acid methyl ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-25-19-17-24(18-20-25)26(29)21-22-27(30)31-2/h17-20,28H,3-16,21-23H2,1-2H3