(3S)-3-(4-hexoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (3S)-3-(4-hexoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-3-(4-hexoxyphenyl)propanoate CAS Name: (3S)-3-(4-hexoxyphenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: (3S)-3-(4-hexoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-3-(4-hexoxyphenyl)propionate Formula: C20H30NO5- MolecularWeight: 364.4559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31NO5/c1-5-6-7-8-13-25-16-11-9-15(10-12-16)17(14-18(22)23)21-19(24)26-20(2,3)4/h9-12,17H,5-8,13-14H2,1-4H3,(H,21,24)(H,22,23)/p-1/t17-/m0/s1