3-[4-(hexadecylamino)phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-(hexadecylamino)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(hexadecylamino)phenyl]-3-oxo-propanoic acid CAS Name: 3-[4-(hexadecylamino)phenyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(hexadecylamino)phenyl]-3-oxopropanoic acid Traditional Name: 3-[4-(cetylamino)phenyl]-3-keto-propionic acid Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CC(=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)24(27)21-25(28)29/h16-19,26H,2-15,20-21H2,1H3,(H,28,29)