methyl 3-[[2-methyl-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-[(4-phenoxyphenyl)methyl]amino]propanoate

Systemtic Name: methyl 3-[[2-methyl-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-[(4-phenoxyphenyl)methyl]amino]propanoate Openeye Name: methyl 3-[[2-(hydroxyamino)-1,1-dimethyl-2-oxo-ethyl]-[(4-phenoxyphenyl)methyl]amino]propanoate CAS Name: 3-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-[(4-phenoxyphenyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-[(4-phenoxyphenyl)methyl]amino]propanoate Traditional Name: 3-[[2-(hydroxyamino)-2-keto-1,1-dimethyl-ethyl]-(4-phenoxybenzyl)amino]propionic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NO)N(CCC(=O)OC)CC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)NO)N(CCC(=O)OC)CC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5/c1-21(2,20(25)22-26)23(14-13-19(24)27-3)15-16-9-11-18(12-10-16)28-17-7-5-4-6-8-17/h4-12,26H,13-15H2,1-3H3,(H,22,25)