3-[[4-(hexadecanoylamino)phenyl]amino]-3-oxidanylidene-2-phenoxy-propanoic acid

Systemtic Name: 3-[[4-(hexadecanoylamino)phenyl]amino]-3-oxidanylidene-2-phenoxy-propanoic acid Openeye Name: 3-[4-(hexadecanoylamino)anilino]-3-oxo-2-phenoxy-propanoic acid CAS Name: 3-oxo-3-[4-(1-oxohexadecylamino)anilino]-2-phenoxypropanoic acid IUPAC Name: 3-[4-(hexadecanoylamino)anilino]-3-oxo-2-phenoxypropanoic acid Traditional Name: 3-keto-3-(4-palmitamidoanilino)-2-phenoxy-propionic acid Formula: C31H44N2O5 MolecularWeight: 524.69146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)NC(=O)C(C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)NC(=O)C(C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C31H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(34)32-25-21-23-26(24-22-25)33-30(35)29(31(36)37)38-27-18-15-14-16-19-27/h14-16,18-19,21-24,29H,2-13,17,20H2,1H3,(H,32,34)(H,33,35)(H,36,37)