3-(4-hydroxyphenyl)-5-methyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-5-methyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)-5-methyl-4-oxo-hexanoic acid CAS Name: 3-(4-hydroxyphenyl)-5-methyl-4-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-5-methyl-4-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)-4-keto-5-methyl-hexanoic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-13(2)19(24)17(15-8-10-16(23)11-9-15)18(20(25)26)22-21(27)28-12-14-6-4-3-5-7-14/h3-11,13,17-18,23H,12H2,1-2H3,(H,22,27)(H,25,26)