(E)-8-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanyl-oct-5-enoic acid

Systemtic Name: (E)-8-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanyl-oct-5-enoic acid Openeye Name: (E)-2-(tert-butoxycarbonylamino)-8-(3,5-dimethylphenyl)-7-hydroxy-oct-5-enoic acid CAS Name: (E)-8-(3,5-dimethylphenyl)-7-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-octenoic acid IUPAC Name: (E)-8-(3,5-dimethylphenyl)-7-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]oct-5-enoic acid Traditional Name: (E)-2-(tert-butoxycarbonylamino)-8-(3,5-dimethylphenyl)-7-hydroxy-oct-5-enoic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(C=CCCC(C(=O)O)NC(=O)OC(C)(C)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(/C=C/CCC(C(=O)O)NC(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C21H31NO5/c1-14-10-15(2)12-16(11-14)13-17(23)8-6-7-9-18(19(24)25)22-20(26)27-21(3,4)5/h6,8,10-12,17-18,23H,7,9,13H2,1-5H3,(H,22,26)(H,24,25)/b8-6+