hexyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: hexyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: hexyl (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid hexyl ester IUPAC Name: hexyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propionic acid hexyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29NO5/c1-2-3-4-8-15-28-22(26)21(16-18-11-13-20(25)14-12-18)24-23(27)29-17-19-9-6-5-7-10-19/h5-7,9-14,21,25H,2-4,8,15-17H2,1H3,(H,24,27)/t21-/m0/s1