(phenylmethyl) (3R)-4-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) (3R)-4-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl (3R)-3-(tert-butoxycarbonylamino)-4-(4-hydroxyphenyl)butanoate CAS Name: (3R)-4-(4-hydroxyphenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-4-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (3R)-3-(tert-butoxycarbonylamino)-4-(4-hydroxyphenyl)butyric acid benzyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23-18(13-16-9-11-19(24)12-10-16)14-20(25)27-15-17-7-5-4-6-8-17/h4-12,18,24H,13-15H2,1-3H3,(H,23,26)/t18-/m1/s1