5-[4-(hexadecylamino)phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(hexadecylamino)phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(hexadecylamino)phenyl]-5-oxo-pentanoic acid CAS Name: 5-[4-(hexadecylamino)phenyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(hexadecylamino)phenyl]-5-oxopentanoic acid Traditional Name: 5-[4-(cetylamino)phenyl]-5-keto-valeric acid Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-28-25-21-19-24(20-22-25)26(29)17-16-18-27(30)31/h19-22,28H,2-18,23H2,1H3,(H,30,31)