4-azanyl-2-[2-(2,5-dimethylphenoxy)ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(2,5-dimethylphenoxy)ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-keto-butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C14H18N2O5/c1-8-3-4-9(2)11(5-8)21-7-13(18)16-10(14(19)20)6-12(15)17/h3-5,10H,6-7H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)