(phenylmethyl) (2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: benzyl (2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxodecylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-(caprylamino)-3-(4-hydroxyphenyl)propionic acid benzyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H35NO4/c1-2-3-4-5-6-7-11-14-25(29)27-24(19-21-15-17-23(28)18-16-21)26(30)31-20-22-12-9-8-10-13-22/h8-10,12-13,15-18,24,28H,2-7,11,14,19-20H2,1H3,(H,27,29)/t24-/m0/s1