methyl 3-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]propanoate

Systemtic Name: methyl 3-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]propanoate Openeye Name: methyl 2-[2-(tert-butoxycarbonylamino)hexylamino]-3-(4-hydroxyphenyl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]propanoate Traditional Name: 2-[2-(tert-butoxycarbonylamino)hexylamino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(CNC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N2O5/c1-6-7-8-16(23-20(26)28-21(2,3)4)14-22-18(19(25)27-5)13-15-9-11-17(24)12-10-15/h9-12,16,18,22,24H,6-8,13-14H2,1-5H3,(H,23,26)