methyl 4-[4-(15-methylhexadecylamino)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-(15-methylhexadecylamino)phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(15-methylhexadecylamino)phenyl]-4-oxo-butanoate CAS Name: 4-[4-(15-methylhexadecylamino)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(15-methylhexadecylamino)phenyl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(15-methylhexadecylamino)phenyl]butyric acid methyl ester Formula: C28H47NO3 MolecularWeight: 445.67768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CCC(=O)OC

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CCC(=O)OC

InChI

InChI=1S/C28H47NO3/c1-24(2)16-14-12-10-8-6-4-5-7-9-11-13-15-23-29-26-19-17-25(18-20-26)27(30)21-22-28(31)32-3/h17-20,24,29H,4-16,21-23H2,1-3H3