(4-phenylmethoxyphenyl) 2-(decanoylamino)-3-methyl-butanoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-(decanoylamino)-3-methyl-butanoate Openeye Name: (4-benzyloxyphenyl) 2-(decanoylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(1-oxodecylamino)butanoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-(decanoylamino)-3-methylbutanoate Traditional Name: 2-(caprylamino)-3-methyl-butyric acid (4-benzoxyphenyl) ester Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C(C)C)C(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC(=O)NC(C(C)C)C(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C28H39NO4/c1-4-5-6-7-8-9-13-16-26(30)29-27(22(2)3)28(31)33-25-19-17-24(18-20-25)32-21-23-14-11-10-12-15-23/h10-12,14-15,17-20,22,27H,4-9,13,16,21H2,1-3H3,(H,29,30)